Table 4.
The Lipinski rule calculation for the phytochemical compounds of the plant involved in the formulation of Nilavembu kudineer, Kabasura kudineer, and JACOM.
| S.·no | Compounds | MW | #H-bond acceptors | #H-bond donors | iLOGP | Lipinski #violations |
|---|---|---|---|---|---|---|
| 1 | Gingerenone B | 386.44 | 6 | 2 | 3.7 | 0 |
| 2 | Beta-sesquiphellandrene | 204.35 | 0 | 0 | 3.65 | 1 |
| 3 | 3-(3,4-Dimethoxyphenyl)-4-[(Z)-3,4-dimethoxystyryl]cyclohex-1-ene | 380.48 | 4 | 0 | 4.43 | 0 |
| 4 | 3-(3,4-Dimethoxyphenyl)-4-[(E)-3,4-dimethoxystyryl]cyclohex-1-ene | 380.48 | 4 | 0 | 4.43 | 0 |
| 5 | Pinocarveol | 152.23 | 1 | 1 | 2.12 | 0 |
| 6 | Zerumboneoxide | 234.33 | 2 | 0 | 2.71 | 0 |
| 7 | Ramonanin A, (rel)- | 680.74 | 10 | 4 | 4.14 | 1 |
| 8 | Ramonanin B, (rel)- | 680.74 | 10 | 4 | 4.51 | 1 |
| 9 | Ramonanin C, (rel)- | 680.74 | 10 | 4 | 4.5 | 1 |
| 10 | Ramonanin D, (rel)- | 680.74 | 10 | 4 | 5.29 | 1 |
| 11 | Zerumbone | 218.33 | 1 | 0 | 2.72 | 0 |
| 12 | 5-Hydroxyzerumbone | 234.33 | 2 | 1 | 2.14 | 0 |
| 13 | (2E,6E)-hedycaryol | 222.37 | 1 | 1 | 3.05 | 0 |
| 14 | Dodecane | 170.33 | 0 | 0 | 3.82 | 1 |
| 15 | 7,4′-Dimethylkaempferol | 314.29 | 6 | 2 | 2.94 | 0 |
| 16 | Zingiberene | 204.35 | 0 | 0 | 3.63 | 1 |
| 17 | Glucoputranjivin(1-) | 360.38 | 10 | 4 | 0.86 | 0 |
| 18 | Glucoputranjivin | 361.39 | 10 | 5 | 0.14 | 0 |
| 19 | All-cis-octadeca-6,9,12,15-tetraenoic acid | 276.41 | 2 | 1 | 3.29 | 1 |
| 20 | Pipataline | 288.42 | 2 | 0 | 4.61 | 1 |
| 21 | Pipercyclobutanamide A(rel) | 570.68 | 6 | 0 | 5.26 | 1 |
| 22 | pellitorine | 223.35 | 1 | 1 | 3.61 | 0 |
| 23 | Gaudichaudianic acid, (− rac) | 340.46 | 3 | 1 | 3.85 | 1 |
| 24 | Sarmentosumin A | 680.74 | 8 | 6 | 3.7 | 2 |
| 25 | Sarmentosumin B | 680.74 | 8 | 6 | 3.97 | 2 |
| 26 | Sarmentosumin C | 786.86 | 9 | 7 | 4.13 | 3 |
| 27 | Sarmentosumin D | 786.86 | 9 | 7 | 4.06 | 3 |
| 28 | Isochamanetin | 362.38 | 5 | 3 | 2.68 | 0 |
| 29 | 7-Methoxychamanetin | 376.4 | 5 | 2 | 3.2 | 0 |
| 30 | Dichamanetin | 468.5 | 6 | 4 | 3.01 | 0 |
| 31 | 7-Methoxydichamanetin | 482.52 | 6 | 3 | 3.58 | 0 |
| 32 | 5″-(2⁗-Hydroxybenzyl)uvarinol | 694.77 | 8 | 5 | 4.16 | 1 |
| 33 | 2,4-Dodecadienamide | 195.3 | 1 | 1 | 2.87 | 0 |
| 34 | 7-Methoxyisochamanetin | 376.4 | 5 | 2 | 3.5 | 0 |
| 35 | (2E,4E)-N-[2-(methylsulfinyl)ethyl]-2,4-decadienamide | 257.39 | 2 | 1 | 3.05 | 0 |
| 36 | (2E,4E)-N-[(4-hydroxy-3-methoxyphenyl)ethyl]-2,4-decadienamide | 317.42 | 3 | 2 | 3.76 | 0 |
| 37 | 3-(4-Hydroxy-3,5-dimethoxyphenyl)propanoylpyrrole | 275.3 | 4 | 1 | 2.63 | 0 |
| 38 | 3-(3,4,5-Timethoxyphenyl)propanoylpyrrole | 289.33 | 4 | 0 | 3.21 | 0 |
| 39 | 1-[(2E,4E,6E)-2,4,6-dodecatrienoyl]pyrrolidine | 247.38 | 1 | 0 | 3.86 | 0 |
| 40 | 1-[(2E,4Z,8E)-9-(3,4-methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine | 325.4 | 3 | 0 | 3.88 | 0 |
| 41 | 1-[(2E,4E,10E)-10-(3,4-methylenedioxyphenyl)-2,4,10-undecatrienoyl]pyrrolidine | 353.45 | 3 | 0 | 4.53 | 0 |
| 42 | 1-[(4E,10E)-11-(3,4-methylenedioxyphenyl)-4,10-undecadienoyl]pyrrolidine | 355.47 | 3 | 0 | 4.6 | 0 |
| 43 | 1-[(9E)-10-(3,4-methylenedioxyphenyl)-9-decenoyl]pyrrolidine | 343.46 | 3 | 0 | 4.43 | 0 |
| 44 | 1-[(2E,4E)-2,4-decadienoyl]pyrrolidine | 221.34 | 1 | 0 | 3.45 | 0 |
| 45 | 1-[(2E,4E)-2,4-dodecadienoyl]pyrrolidine | 249.39 | 1 | 0 | 3.95 | 0 |
| 46 | 1-[(2E)-7-(3,4-methylenedioxyphenyl)-2-heptenoyl]pyrrolidine | 301.38 | 3 | 0 | 3.64 | 0 |
| 47 | 1-[(2E,4E)-7-(3,4-methylenedioxyphenyl)-2,4-heptadienoyl]pyrrolidine | 299.36 | 3 | 0 | 3.65 | 0 |
| 48 | 1-[(2E,8E)-9-(3,4-methylenedioxyphenyl)-2,8-nonadienoyl]pyrrolidine | 327.42 | 3 | 0 | 4.04 | 0 |
| 49 | 1-[(8E)-9-(3,4-methylenedioxyphenyl)-8-nonenoyl]pyrrolidine | 329.43 | 3 | 0 | 4.16 | 0 |
| 50 | 1-[(2E,4E,8E)-9-(3,4-methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine | 325.4 | 3 | 0 | 3.88 | 0 |
| 51 | 1-[(2E,4E)-11-(3,4-methylenedioxyphenyl)-2,4-undecadienoyl]pyrrolidine | 355.47 | 3 | 0 | 4.51 | 0 |
| 52 | 1-[(2E,10E)-11-(3,4-methylenedioxyphenyl)-2,10-undecadienoyl]pyrrolidine | 355.47 | 3 | 0 | 4.16 | 0 |
| 53 | (2E,4E)-N-isobutyl-2,4-dodecadienamide | 251.41 | 1 | 1 | 4.06 | 0 |
| 54 | (2E,4E)-N-isobutyl-7-(3,4-methylenedioxyphenyl)-hepta-2,4-dienamide | 301.38 | 3 | 1 | 3.67 | 0 |
| 55 | (8E)-N-isobutyl-9-(3,4-methylenedioxyphenyl)nona-8-enamide | 331.45 | 3 | 1 | 4.18 | 0 |
| 56 | (2E,4E,8E)-N-isobutyl-11-(3,4-methylenedioxyphenyl)undeca-2,4,8-trienamide | 355.47 | 3 | 1 | 4.42 | 0 |
| 57 | N-trans-sinapoyltyramine | 343.37 | 5 | 3 | 2.71 | 0 |
| 58 | Dihydrocubebin, rel- | 358.39 | 6 | 2 | 3.19 | 0 |
| 59 | Justiflorinol | 356.33 | 7 | 1 | 2.76 | 0 |
| 60 | (−)-Sanguinolignan A | 384.34 | 8 | 1 | 2.82 | 0 |
| 61 | (−)-Sanguinolignan B | 384.34 | 8 | 1 | 2.79 | 0 |
| 62 | (−)-Sanguinolignan C | 442.42 | 9 | 0 | 3.36 | 0 |
| 63 | (−)-Sanguinolignan D | 426.37 | 9 | 0 | 2.74 | 0 |
| 64 | (7′S)-parabenzlactone | 370.35 | 7 | 1 | 3.12 | 0 |
| 65 | Flavokawain B | 284.31 | 4 | 1 | 2.63 | 0 |
| 66 | Methyl 3,4-dihydroxy-5-(3′-methyl-2′-butenyl)benzoate | 236.26 | 4 | 2 | 2.62 | 0 |
| 67 | Pipercallosidine | 303.4 | 3 | 1 | 3.76 | 0 |
| 68 | Kadsurenin C | 358.43 | 5 | 1 | 3.37 | 0 |
| 69 | Kadsurenin K | 342.39 | 5 | 1 | 3.02 | 0 |
| 70 | Kadsurenin L | 400.46 | 6 | 0 | 3.42 | 0 |
| 71 | Pipercallosine | 329.43 | 3 | 1 | 4.04 | 0 |
| 72 | (S)-1′-methylhexyl caffeate | 278.34 | 4 | 2 | 3.41 | 0 |
| 73 | Futoenone | 340.37 | 5 | 0 | 3.15 | 0 |
| 74 | (−)-Cubebin | 356.37 | 6 | 1 | 3.18 | 0 |
| 75 | (−)-3,4-Dimethoxy-3,4-desmethylenedioxycubebin | 372.41 | 6 | 1 | 3.06 | 0 |
| 76 | (S)-1′-methylbutyl caffeate | 250.29 | 4 | 2 | 2.81 | 0 |
| 77 | (S)-1′-methyloctyl caffeate | 306.4 | 4 | 2 | 3.66 | 0 |
| 78 | Futokadsurin B | 356.41 | 5 | 0 | 3.89 | 0 |
| 79 | Futokadsurin C | 356.41 | 5 | 0 | 3.77 | 0 |
| 80 | Piperine | 285.34 | 3 | 0 | 3.42 | 0 |
| 81 | Futokadsurin A | 358.43 | 5 | 1 | 3.46 | 0 |
| 82 | Burchellin | 340.37 | 5 | 0 | 3.26 | 0 |
| 83 | Trans-cinnamic acid | 148.16 | 2 | 1 | 1.55 | 0 |
| 84 | Pinocembrin chalcone | 256.25 | 4 | 3 | 1.09 | 0 |
| 85 | Piperlactam S | 295.29 | 4 | 1 | 2.54 | 0 |
| 86 | Asebogenin | 288.3 | 5 | 3 | 1.97 | 0 |
| 87 | (+)-Sesamin | 354.35 | 6 | 0 | 3.46 | 0 |
| 88 | Benzoic acid | 122.12 | 2 | 1 | 1.11 | 0 |
| 89 | N-feruloyltyramine | 313.35 | 4 | 3 | 2.58 | 0 |
| 90 | Kadsurenin M | 328.36 | 5 | 0 | 3.15 | 0 |
| 91 | (−)-Epicubenol | 222.37 | 1 | 1 | 3.11 | 0 |
| 92 | Acacetin-8-C-neohesperidoside | 592.55 | 14 | 8 | 1.49 | 3 |
| 93 | Monocerin | 308.33 | 6 | 1 | 2.99 | 0 |
| 94 | (2S,3aR,9bR)-6,7-dihydroxy-8-methoxy-2-propyl-3,3a-dihydro-2H-furo[3,2-c]isochromen-5(9bH)-one | 294.3 | 6 | 2 | 2.51 | 0 |
| 95 | Fusarentin 6,7-dimethyl ether | 310.34 | 6 | 2 | 2.85 | 0 |
| 96 | Fusarentin 6-methyl ether | 296.32 | 6 | 3 | 2.27 | 0 |
| 97 | (3R,4R)-4,8-dihydroxy-3-((R)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one | 326.34 | 7 | 3 | 2.59 | 0 |
| 98 | Colletotrialide, (+)- | 308.33 | 6 | 1 | 2.49 | 0 |
| 99 | Galgravin | 372.45 | 5 | 0 | 3.97 | 0 |
| 100 | Piperonal | 150.13 | 3 | 0 | 1.6 | 0 |
| 101 | Pinocembrin | 256.25 | 4 | 2 | 2.11 | 0 |
| 102 | 1,4-Cineole | 154.25 | 1 | 0 | 2.68 | 0 |
| 103 | Sodium benzoate | 144.1 | 2 | 0 | − 11.15 | 0 |
| 104 | (−)-Cubenol | 222.37 | 1 | 1 | 3.24 | 0 |
| 105 | (E,E)-piperic acid | 218.21 | 4 | 1 | 2.2 | 0 |
| 106 | Kavapyrone | 244.24 | 4 | 0 | 2.6 | 0 |
| 107 | Alpha-cubebene | 204.35 | 0 | 0 | 3.4 | 1 |
| 108 | Acuminatin | 340.41 | 4 | 0 | 4.05 | 0 |
| 109 | Betulin di(3-carboxybutanoate) | 670.92 | 8 | 2 | 4.69 | 2 |
| 110 | Dihydrobetulinic acid | 458.72 | 3 | 2 | 3.91 | 1 |
| 111 | Bevirimat | 584.83 | 6 | 2 | 4.25 | 2 |
| 112 | Platanic acid | 458.67 | 4 | 2 | 3.52 | 1 |
| 113 | Canophyllal | 440.7 | 2 | 0 | 4.07 | 1 |
| 114 | Cinnamic acid | 148.16 | 2 | 1 | 1.55 | 0 |
| 115 | Cinnamtannin D-1 | 864.76 | 18 | 14 | 2.04 | 3 |
| 116 | Cassiatannin A | 1153.01 | 24 | 19 | 2.75 | 3 |
| 117 | Cinnamtannin B-1 | 864.76 | 18 | 14 | 2.25 | 3 |
| 118 | Parameritannin A-1 | 1153.01 | 24 | 19 | 2.6 | 3 |
| 119 | Methyl linolenate | 292.46 | 2 | 0 | 4.94 | 1 |
| 120 | Zerumbone | 218.33 | 1 | 0 | 2.72 | 0 |
| 121 | (Z)-3-phenyl-2-propenal | 132.16 | 1 | 0 | 1.65 | 0 |
| 122 | (E)-2-methoxycinnamic acid | 178.18 | 3 | 1 | 1.76 | 0 |
| 123 | Betulinic acid | 456.7 | 3 | 2 | 3.81 | 1 |
| 124 | Heptacosan-1-ol | 396.73 | 1 | 1 | 6.93 | 1 |
| 125 | Pyrethrin I | 328.45 | 3 | 0 | 4.22 | 0 |
| 126 | Pyrethrin II | 372.45 | 5 | 0 | 4.2 | 0 |
| 127 | 14-Deoxy-11,12-didehydroandrographolide | 332.43 | 4 | 2 | 3.07 | 0 |
| 128 | Andrographolide | 350.45 | 5 | 3 | 2.61 | 0 |
| 129 | Dihydroferulic acid | 196.2 | 4 | 2 | 1.62 | 0 |
| 130 | Mesembryanthemoidigenic acid | 472.7 | 4 | 3 | 3.56 | 1 |
| 131 | Methyl N-methylanthranilate | 165.19 | 2 | 1 | 2.02 | 0 |
| 132 | Delta-elemene | 204.35 | 0 | 0 | 3.43 | 1 |
| 133 | Decussatin | 302.28 | 6 | 1 | 2.96 | 0 |
| 134 | Capensinidin | 345.32 | 7 | 3 | − 0.95 | 0 |
| 135 | Termilignan B | 294.34 | 3 | 1 | 2.74 | 0 |
| 136 | (Z)-9-hydroxybenzo[c]oxepin-3(1H)-one | 176.17 | 3 | 1 | 1.37 | 0 |
| 137 | Cyclosordariolone, (rac)- | 220.22 | 4 | 3 | 1.44 | 0 |
| 138 | (R)-3-Hydroxy-1-[(R)-4-hydroxy-1,3-dihydroisobenzofuran-1-yl]butan-2-one | 222.24 | 4 | 2 | 1.7 | 0 |
| 139 | (R)-3-Hydroxy-1-[(S)-4-hydroxy-1,3-dihydroisobenzofuran-1-yl]butan-2-one | 222.24 | 4 | 2 | 1.51 | 0 |
| 140 | (E)-2-(Hydroxymethyl)-3-(4-hydroxypent-1-enyl)phenol | 208.25 | 3 | 3 | 1.99 | 0 |
| 141 | 1-(3,9-Dihydroxy-1,3-dihydrobenzo[c]oxepin-3-yl)ethanone, (rac)- | 220.22 | 4 | 2 | 1.53 | 0 |
| 142 | Pestalospirane A | 408.44 | 6 | 2 | 2.89 | 0 |
| 143 | Pestalospirane B | 408.44 | 6 | 2 | 3.02 | 0 |
| 144 | Methyl 3,4,5-trihydroxybenzoate | 184.15 | 5 | 3 | 0.96 | 0 |
| 145 | Ursolic acid | 456.7 | 3 | 2 | 3.95 | 1 |
| 146 | Arecoline | 155.19 | 3 | 0 | 2.26 | 0 |
| 147 | Propyl benzoate | 164.2 | 2 | 0 | 2.46 | 0 |
| 148 | Plectranthol A | 450.52 | 6 | 4 | 3.49 | 0 |
| 149 | Plectranthol B | 536.66 | 7 | 3 | 4.59 | 2 |
| 150 | 11,20-Dihydroxysugiol | 332.43 | 4 | 3 | 2.87 | 0 |
| 151 | 11-Hydroxysugiol | 316.43 | 3 | 2 | 3.15 | 0 |
| 152 | Abietatriene | 270.45 | 0 | 0 | 3.86 | 1 |
| 153 | 1beta-hydroxy arbusculin A | 266.33 | 4 | 2 | 2.23 | 0 |
| 154 | Alantolactone | 232.32 | 2 | 0 | 2.71 | 0 |
| 155 | Dehydrocostus lactone | 230.3 | 2 | 0 | 2.67 | 0 |
| 156 | Costunolide | 232.32 | 2 | 0 | 2.72 | 0 |
| 157 | Matairesinoside | 520.53 | 11 | 5 | 2.37 | 2 |
| 158 | 3-Hydroxyhexane-2,5-dione | 130.14 | 3 | 1 | 0.6 | 0 |
| 159 | Heptacosan-1-ol | 396.73 | 1 | 1 | 6.93 | 1 |
| 160 | 6-Hydroxyluteolin 7-O-laminaribioside | 626.52 | 17 | 11 | 1.44 | 3 |
| 161 | Cyclotetradecane | 196.37 | 0 | 0 | 3.35 | 1 |
| 162 | Cycloeucalenone | 424.7 | 1 | 0 | 4.98 | 1 |
| 163 | Rubimaillin | 284.31 | 4 | 1 | 2.87 | 0 |
| 164 | Canophyllal | 440.7 | 2 | 0 | 4.07 | 1 |
| 165 | Stepharanine | 324.35 | 4 | 2 | − 0.53 | 0 |
| 166 | (Z)-icos-13-enoic acid | 310.51 | 2 | 1 | 4.26 | 1 |
| 167 | Methyl 3,4,5-trihydroxybenzoate | 184.15 | 5 | 3 | 0.96 | 0 |
| 168 | Serratol | 290.48 | 1 | 1 | 3.82 | 1 |
| 169 | Huperzine A | 242.32 | 2 | 2 | 2.42 | 0 |
| 170 | Maytansine | 692.2 | 10 | 2 | 4.27 | 2 |
| 171 | Mustakone | 218.33 | 1 | 0 | 2.95 | 0 |
| 172 | (+)-nootkatone | 218.33 | 1 | 0 | 2.83 | 0 |
| 173 | Pectenotoxin-11 | 875.05 | 15 | 4 | 4.09 | 2 |
| 174 | Dinophysistoxin 2 | 805 | 13 | 5 | 6.22 | 2 |
| 175 | 1-Icosanoylglycerol | 386.61 | 4 | 2 | 4.71 | 0 |
| 176 | Swertisin | 446.4 | 10 | 6 | 2.5 | 1 |
| 177 | Serratol | 290.48 | 1 | 1 | 3.82 | 1 |
| 178 | Raffinose | 504.44 | 16 | 11 | 1.12 | 3 |
| 179 | PLX-4720 | 413.83 | 6 | 2 | 2.42 | 0 |
| 180 | Huperzine A | 242.32 | 2 | 2 | 2.42 | 0 |
| 181 | Maytansine | 692.2 | 10 | 2 | 4.27 | 2 |
| 182 | N-(2-methoxyethyl)-4-{[6-(pyridin-4-yl)quinazolin-2-yl]amino}benzamide | 399.45 | 5 | 2 | 2.8 | 0 |
| 183 | Glucotropeolin | 409.43 | 10 | 5 | 0.57 | 0 |
| 184 | Glucotropeolin(1-) | 408.42 | 10 | 4 | 1.04 | 0 |
| 185 | Methyl 12-methyltetradecanoate | 256.42 | 2 | 0 | 4.08 | 1 |
| 186 | (3S,5R,6S)-beta-cryptoxanthin 5,6-epoxide | 568.87 | 2 | 1 | 7.8 | 2 |
| 187 | Carpaine | 478.71 | 6 | 2 | 4.4 | 0 |
| 188 | Beta-cryptoxanthin | 552.87 | 1 | 1 | 7.6 | 2 |
| 189 | 24-Methylenecycloartanol | 440.74 | 1 | 1 | 5.31 | 1 |
| 190 | Helvolic acid methyl ester | 582.72 | 8 | 0 | 4.5 | 1 |
| 191 | Danielone | 212.2 | 5 | 2 | 1.63 | 0 |
| 192 | 2-Isobutylthiazole | 141.23 | 1 | 0 | 2.37 | 0 |
| 193 | 14-Deoxy-11,12-didehydroandrographolide | 332.43 | 4 | 2 | 3.07 | 0 |
| 194 | Andrographolide | 350.45 | 5 | 3 | 2.61 | 0 |
| 195 | Dihydroferulic acid | 196.2 | 4 | 2 | 1.62 | 0 |
| 196 | Mesembryanthemoidigenic acid | 472.7 | 4 | 3 | 3.56 | 1 |
| 197 | Methyl N-methylanthranilate | 165.19 | 2 | 1 | 2.02 | 0 |
| 198 | Delta-elemene | 204.35 | 0 | 0 | 3.43 | 1 |
| 199 | Decussatin | 302.28 | 6 | 1 | 2.96 | 0 |
| 200 | Linalool | 154.25 | 1 | 1 | 2.7 | 0 |
| 201 | Nevadensin | 344.32 | 7 | 2 | 3 | 0 |
| 202 | 7-Epi-sesquithujene | 204.35 | 0 | 0 | 3.37 | 1 |
| 203 | Selina-4(15),7(11)-diene | 204.35 | 0 | 0 | 3.31 | 1 |
| 204 | Codeine | 299.36 | 4 | 1 | 2.67 | 0 |
| 205 | Sulfanilamide | 172.2 | 3 | 2 | 0.61 | 0 |
| 206 | Avicularin | 434.35 | 11 | 7 | 1.86 | 2 |
| 207 | Pipercyclobutanamide A(rel) | 570.68 | 6 | 0 | 5.26 | 1 |
| 208 | (−)-Cubebin | 356.37 | 6 | 1 | 3.18 | 0 |
| 209 | (−)-3,4-Dimethoxy-3,4-desmethylenedioxycubebin | 372.41 | 6 | 1 | 3.06 | 0 |
| 210 | Piperine | 285.34 | 3 | 0 | 3.42 | 0 |
| 211 | Pellitorine | 223.35 | 1 | 1 | 3.61 | 0 |
| 212 | Gaudichaudianic acid, (− rac) | 340.46 | 3 | 1 | 3.85 | 1 |
| 213 | Sarmentosumin A | 680.74 | 8 | 6 | 3.7 | 2 |
| 214 | Sarmentosumin B | 680.74 | 8 | 6 | 3.97 | 2 |
| 215 | Sarmentosumin C | 786.86 | 9 | 7 | 4.13 | 3 |
| 216 | Sarmentosumin D | 786.86 | 9 | 7 | 4.06 | 3 |
| 217 | Isochamanetin | 362.38 | 5 | 3 | 2.68 | 0 |
| 218 | 7-Methoxychamanetin | 376.4 | 5 | 2 | 3.2 | 0 |
| 219 | Dichamanetin | 468.5 | 6 | 4 | 3.01 | 0 |
| 220 | 7-Methoxydichamanetin | 482.52 | 6 | 3 | 3.58 | 0 |
| 221 | 5″-(2⁗-Hydroxybenzyl)uvarinol | 694.77 | 8 | 5 | 4.16 | 1 |
| 222 | 2,4-Dodecadienamide | 195.3 | 1 | 1 | 2.87 | 0 |
| 223 | 7-Methoxyisochamanetin | 376.4 | 5 | 2 | 3.5 | 0 |
| 224 | (2E,4E)-N-[2-(methylsulfinyl)ethyl]-2,4-decadienamide | 257.39 | 2 | 1 | 3.05 | 0 |
| 225 | (2E,4E)-N-[(4-hydroxy-3-methoxyphenyl)ethyl]-2,4-decadienamide | 317.42 | 3 | 2 | 3.76 | 0 |
| 226 | 3-(4-Hydroxy-3,5-dimethoxyphenyl)propanoylpyrrole | 275.3 | 4 | 1 | 2.63 | 0 |
| 227 | 3-(3,4,5-Timethoxyphenyl)propanoylpyrrole | 289.33 | 4 | 0 | 3.21 | 0 |
| 228 | 1-[(2E,4E,6E)-2,4,6-dodecatrienoyl]pyrrolidine | 247.38 | 1 | 0 | 3.86 | 0 |
| 229 | 1-[(2E,4Z,8E)-9-(3,4-methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine | 325.4 | 3 | 0 | 3.88 | 0 |
| 230 | 1-[(2E,4E,10E)-10-(3,4-methylenedioxyphenyl)-2,4,10-undecatrienoyl]pyrrolidine | 353.45 | 3 | 0 | 4.53 | 0 |
| 231 | 1-[(4E,10E)-11-(3,4-methylenedioxyphenyl)-4,10-undecadienoyl]pyrrolidine | 355.47 | 3 | 0 | 4.6 | 0 |
| 232 | 1-[(9E)-10-(3,4-methylenedioxyphenyl)-9-decenoyl]pyrrolidine | 343.46 | 3 | 0 | 4.43 | 0 |
| 233 | 1-[(2E,4E)-2,4-decadienoyl]pyrrolidine | 221.34 | 1 | 0 | 3.45 | 0 |
| 234 | 1-[(2E,4E)-2,4-dodecadienoyl]pyrrolidine | 249.39 | 1 | 0 | 3.95 | 0 |
| 235 | 1-[(2E)-7-(3,4-methylenedioxyphenyl)-2-heptenoyl]pyrrolidine | 301.38 | 3 | 0 | 3.64 | 0 |
| 236 | 1-[(2E,4E)-7-(3,4-methylenedioxyphenyl)-2,4-heptadienoyl]pyrrolidine | 299.36 | 3 | 0 | 3.65 | 0 |
| 237 | 1-[(2E,8E)-9-(3,4-methylenedioxyphenyl)-2,8-nonadienoyl]pyrrolidine | 327.42 | 3 | 0 | 4.04 | 0 |
| 238 | 1-[(8E)-9-(3,4-methylenedioxyphenyl)-8-nonenoyl]pyrrolidine | 329.43 | 3 | 0 | 4.16 | 0 |
| 239 | 1-[(2E,4E,8E)-9-(3,4-methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine | 325.4 | 3 | 0 | 3.88 | 0 |
| 240 | 1-[(2E,4E)-11-(3,4-methylenedioxyphenyl)-2,4-undecadienoyl]pyrrolidine | 355.47 | 3 | 0 | 4.51 | 0 |
| 241 | 1-[(2E,10E)-11-(3,4-methylenedioxyphenyl)-2,10-undecadienoyl]pyrrolidine | 355.47 | 3 | 0 | 4.16 | 0 |
| 242 | (2E,4E)-N-isobutyl-2,4-dodecadienamide | 251.41 | 1 | 1 | 4.06 | 0 |
| 243 | (2E,4E)-N-isobutyl-7-(3,4-methylenedioxyphenyl)-hepta-2,4-dienamide | 301.38 | 3 | 1 | 3.67 | 0 |
| 244 | (8E)-N-isobutyl-9-(3,4-methylenedioxyphenyl)nona-8-enamide | 331.45 | 3 | 1 | 4.18 | 0 |
| 245 | (2E,4E,8E)-N-isobutyl-11-(3,4-methylenedioxyphenyl)undeca-2,4,8-trienamide | 355.47 | 3 | 1 | 4.42 | 0 |
| 246 | N-trans-sinapoyltyramine | 343.37 | 5 | 3 | 2.71 | 0 |
| 247 | Dihydrocubebin, rel- | 358.39 | 6 | 2 | 3.19 | 0 |
| 248 | Justiflorinol | 356.33 | 7 | 1 | 2.76 | 0 |
| 249 | (−)-Sanguinolignan A | 384.34 | 8 | 1 | 2.82 | 0 |
| 250 | (−)-Sanguinolignan B | 384.34 | 8 | 1 | 2.79 | 0 |
| 251 | (−)-Sanguinolignan C | 442.42 | 9 | 0 | 3.36 | 0 |
| 252 | (−)-Sanguinolignan D | 426.37 | 9 | 0 | 2.74 | 0 |
| 253 | (7′S)-parabenzlactone | 370.35 | 7 | 1 | 3.12 | 0 |
| 254 | Flavokawain B | 284.31 | 4 | 1 | 2.63 | 0 |
| 255 | Methyl 3,4-dihydroxy-5-(3′-methyl-2′-butenyl)benzoate | 236.26 | 4 | 2 | 2.62 | 0 |
| 256 | Pipercallosidine | 303.4 | 3 | 1 | 3.76 | 0 |
| 257 | Kadsurenin C | 358.43 | 5 | 1 | 3.37 | 0 |
| 258 | Kadsurenin K | 342.39 | 5 | 1 | 3.02 | 0 |
| 259 | Kadsurenin L | 400.46 | 6 | 0 | 3.42 | 0 |
| 260 | Pipercallosine | 329.43 | 3 | 1 | 4.04 | 0 |
| 261 | (S)-1′-methylhexyl caffeate | 278.34 | 4 | 2 | 3.41 | 0 |
| 262 | Futoenone | 340.37 | 5 | 0 | 3.15 | 0 |
| 263 | (S)-1′-methylbutyl caffeate | 250.29 | 4 | 2 | 2.81 | 0 |
| 264 | (S)-1′-methyloctyl caffeate | 306.4 | 4 | 2 | 3.66 | 0 |
| 265 | Futokadsurin B | 356.41 | 5 | 0 | 3.89 | 0 |
| 266 | Futokadsurin C | 356.41 | 5 | 0 | 3.77 | 0 |
| 267 | Futokadsurin A | 358.43 | 5 | 1 | 3.46 | 0 |
| 268 | Burchellin | 340.37 | 5 | 0 | 3.26 | 0 |
| 269 | Piperonal | 150.13 | 3 | 0 | 1.6 | 0 |
| 270 | (−)-Cubenol | 222.37 | 1 | 1 | 3.24 | 0 |
| 271 | (E,E)-piperic acid | 218.21 | 4 | 1 | 2.2 | 0 |
| 272 | Trans-cinnamic acid | 148.16 | 2 | 1 | 1.55 | 0 |
| 273 | Pinocembrin chalcone | 256.25 | 4 | 3 | 1.09 | 0 |
| 274 | Piperlactam S | 295.29 | 4 | 1 | 2.54 | 0 |
| 275 | Asebogenin | 288.3 | 5 | 3 | 1.97 | 0 |
| 276 | Epicocconone | 410.42 | 7 | 2 | 3.17 | 0 |
| 277 | (+)-Sesamin | 354.35 | 6 | 0 | 3.46 | 0 |
| 278 | Pipataline | 288.42 | 2 | 0 | 4.61 | 1 |
| 279 | (−)-Antofine | 363.45 | 4 | 0 | 3.8 | 0 |
| 280 | Benzoic acid | 122.12 | 2 | 1 | 1.11 | 0 |
| 281 | Ethyl butyrate | 116.16 | 2 | 0 | 1.9 | 0 |
| 282 | N-feruloyltyramine | 313.35 | 4 | 3 | 2.58 | 0 |
| 283 | Kadsurenin M | 328.36 | 5 | 0 | 3.15 | 0 |
| 284 | (−)-Epicubenol | 222.37 | 1 | 1 | 3.11 | 0 |
| 285 | Acacetin-8-C-neohesperidoside | 592.55 | 14 | 8 | 1.49 | 3 |
| 286 | Monocerin | 308.33 | 6 | 1 | 2.99 | 0 |
| 287 | (2S,3aR,9bR)-6,7-dihydroxy-8-methoxy-2-propyl-3,3a-dihydro-2H-furo[3,2-c]isochromen-5(9bH)-one | 294.3 | 6 | 2 | 2.51 | 0 |
| 288 | Fusarentin 6,7-dimethyl ether | 310.34 | 6 | 2 | 2.85 | 0 |
| 289 | Fusarentin 6-methyl ether | 296.32 | 6 | 3 | 2.27 | 0 |
| 290 | (3R,4R)-4,8-dihydroxy-3-((R)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one | 326.34 | 7 | 3 | 2.59 | 0 |
| 291 | Colletotrialide, (+)- | 308.33 | 6 | 1 | 2.49 | 0 |
| 292 | Galgravin | 372.45 | 5 | 0 | 3.97 | 0 |
| 293 | 9,10-Epoxy-18-hydroxyoctadecanoic acid | 314.46 | 4 | 2 | 3.8 | 0 |
| 294 | Pinocembrin | 256.25 | 4 | 2 | 2.11 | 0 |
| 295 | 1,4-Cineole | 154.25 | 1 | 0 | 2.68 | 0 |
| 296 | Sodium benzoate | 144.1 | 2 | 0 | − 11.15 | 0 |
| 297 | 9,10,18-Trihydroxyoctadecanoic acid | 332.48 | 5 | 4 | 3.25 | 0 |
| 298 | Kavapyrone | 244.24 | 4 | 0 | 2.6 | 0 |
| 299 | Alpha-cubebene | 204.35 | 0 | 0 | 3.4 | 1 |
| 300 | Acuminatin | 340.41 | 4 | 0 | 4.05 | 0 |
| 301 | Jerantinine E | 384.47 | 5 | 2 | 3.52 | 0 |
| 302 | Jerantinine F | 398.45 | 6 | 2 | 3.4 | 0 |
| 303 | Jerantinine C | 396.44 | 5 | 2 | 3.13 | 0 |
| 304 | Jerantinine B | 398.45 | 6 | 2 | 3.29 | 0 |
| 305 | Jerantinine D | 412.44 | 6 | 2 | 3.07 | 0 |
| 306 | Jerantinine A | 382.45 | 5 | 2 | 3.49 | 0 |
| 307 | Tabernaemontanine | 354.44 | 4 | 1 | 2.79 | 0 |
| 308 | Mangiferin | 422.34 | 11 | 8 | 0.89 | 2 |
| 309 | Plectranthol A | 450.52 | 6 | 4 | 3.49 | 0 |
| 310 | Plectranthol B | 536.66 | 7 | 3 | 4.59 | 2 |
| 311 | 11,20-Dihydroxysugiol | 332.43 | 4 | 3 | 2.87 | 0 |
| 312 | 11-Hydroxysugiol | 316.43 | 3 | 2 | 3.15 | 0 |
| 313 | Abietatriene | 270.45 | 0 | 0 | 3.86 | 1 |
| 314 | 7-oxo-10α-cucurbitadienol | 440.7 | 2 | 1 | 4.65 | 1 |