Table 1. Detailed information of active ingredients of TXL.
Local name | Latin scientific names | Mol ID | Molecule name | Ratio* | MW | AlogP | OB (%) | DL |
---|---|---|---|---|---|---|---|---|
Ginseng radix et rhizoma | Panax Ginseng C. A. Mey | 0.024 (9.4) | ||||||
MOL002879 | Diop | 390.62 | 7.44 | 43.59 | 0.39 | |||
MOL000449 | Stigmasterol | 412.77 | 7.64 | 43.83 | 0.76 | |||
MOL000358 | Beta-sitosterol | 414.79 | 8.08 | 36.91 | 0.75 | |||
MOL003648 | Inermin | 284.28 | 2.44 | 65.83 | 0.54 | |||
MOL000422 | Kaempferol | 286.25 | 1.77 | 41.88 | 0.24 | |||
MOL004492 | Chrysanthemaxanthin | 584.96 | 8.24 | 38.72 | 0.58 | |||
MOL005308 | Aposiopolamine | 271.34 | 1.39 | 66.65 | 0.22 | |||
MOL005314 | Celabenzine | 379.55 | 2.29 | 101.88 | 0.49 | |||
MOL005317 | Deoxyharringtonine | 515.66 | 3.13 | 39.27 | 0.81 | |||
MOL005318 | Dianthramine | 289.26 | 2.05 | 40.45 | 0.2 | |||
MOL005320 | Arachidonate | 304.52 | 6.41 | 45.57 | 0.2 | |||
MOL005321 | Frutinone A | 264.24 | 2.7 | 65.9 | 0.34 | |||
MOL005344 | Ginsenoside rh2 | 622.98 | 4.04 | 36.32 | 0.56 | |||
MOL005348 | Ginsenoside-Rh4_qt | 458.8 | 5.59 | 31.11 | 0.78 | |||
MOL005356 | Girinimbin | 263.36 | 4.6 | 61.22 | 0.31 | |||
MOL005357 | Gomisin B | 514.62 | 2.73 | 31.99 | 0.83 | |||
MOL005360 | Malkangunin | 432.56 | 1.84 | 57.71 | 0.63 | |||
MOL005376 | Panaxadiol | 460.82 | 5.46 | 33.09 | 0.79 | |||
MOL005384 | Suchilactone | 368.41 | 3.73 | 57.52 | 0.56 | |||
MOL005399 | Alexandrin_qt | 414.79 | 8.08 | 36.91 | 0.75 | |||
MOL005401 | Ginsenoside Rg5_qt | 442.8 | 6.8 | 39.56 | 0.79 | |||
MOL000787 | Fumarine | 353.4 | 2.95 | 59.26 | 0.83 | |||
Paeoniaeradixrubra | Paeoniaceae | 0.022 (8.6) | ||||||
MOL001918 | Paeoniflorgenone | 318.35 | 0.79 | 87.59 | 0.37 | |||
MOL001925 | Paeoniflorin_qt | 318.35 | 0.46 | 68.18 | 0.4 | |||
MOL007016 | Paeoniflorigenone | 318.35 | 0.79 | 65.33 | 0.37 | |||
MOL006996 | 1-o-beta-d-glucopyranosylpaeonisuffrone_qt | 332.38 | 0.51 | 65.08 | 0.35 | |||
MOL007022 | EvofolinB | 318.35 | 2.07 | 64.74 | 0.22 | |||
MOL007018 | 9-ethyl-neo-paeoniaflorin A_qt | 334.4 | 1.48 | 64.42 | 0.3 | |||
MOL006992 | (2R,3R)-4-methoxyl-distylin | 318.3 | 1.89 | 59.98 | 0.3 | |||
MOL007008 | 4-ethyl-paeoniflorin_qt | 332.38 | 1.02 | 56.87 | 0.44 | |||
MOL007012 | 4-o-methyl-paeoniflorin_qt | 332.38 | 0.87 | 56.7 | 0.43 | |||
MOL000492 | (+)-catechin | 290.29 | 1.92 | 54.83 | 0.24 | |||
MOL001924 | Paeoniflorin | 480.51 | −1.28 | 53.87 | 0.79 | |||
MOL001921 | Lactiflorin | 462.49 | −0.57 | 49.12 | 0.8 | |||
MOL007005 | Albiflorin_qt | 318.35 | 0.42 | 48.7 | 0.33 | |||
MOL000449 | Stigmasterol | 412.77 | 7.64 | 43.83 | 0.76 | |||
MOL001002 | Ellagic acid | 302.2 | 1.48 | 43.06 | 0.43 | |||
MOL004355 | Spinasterol | 412.77 | 7.64 | 42.98 | 0.76 | |||
MOL002776 | Baicalin | 446.39 | 0.64 | 40.12 | 0.75 | |||
MOL005043 | Campest-5-en-3beta-ol | 400.76 | 7.63 | 37.58 | 0.71 | |||
MOL006999 | Stigmast-7-en-3-ol | 414.79 | 8.08 | 37.42 | 0.75 | |||
MOL000358 | Beta-sitosterol | 414.79 | 8.08 | 36.91 | 0.75 | |||
MOL000359 | Sitosterol | 414.79 | 8.08 | 36.91 | 0.75 | |||
MOL006994 | 1-o-beta-d-glucopyranosyl-8-o -benzoylpaeonisuffrone_qt | 302.35 | 0.44 | 36.01 | 0.3 | |||
MOL002714 | Baicalein | 270.25 | 2.33 | 33.52 | 0.21 | |||
MOL002883 | Ethyl oleate (NF) | 310.58 | 7.44 | 32.4 | 0.19 | |||
MOL007014 | 8-debenzoylpaeonidanin | 390.43 | -3.28 | 31.74 | 0.45 | |||
MOL007003 | Bnzoyl paeoniflorin | 584.62 | 0.76 | 31.14 | 0.54 | |||
MOL007025 | Isobenzoylpaeoniflorin | 584.62 | 0.76 | 31.14 | 0.54 | |||
MOL006990 | (1S,2S,4R)-trans-2-hydroxy-1,8-cineole-B-d-glucopyranoside | 332.44 | −0.57 | 30.25 | 0.27 | |||
MOL007004 | Albiflorin | 480.51 | −1.33 | 30.25 | 0.77 | |||
Ziziphispinosae semen | Rhamnaceae | 0.024 (9.4) | ||||||
MOL001522 | (S)-Coclaurine | 285.37 | 2.83 | 42.35 | 0.24 | |||
MOL001546 | Zizyphusine | 342.45 | 3.12 | 41.53 | 0.55 | |||
MOL001527 | Jujuboside A_qt | 472.78 | 4.39 | 34.96 | 0.62 | |||
MOL001542 | Swertisin | 446.44 | 0.19 | 31.83 | 0.75 | |||
MOL001525 | Daucosterol | 414.79 | 8.08 | 36.91 | 0.75 | |||
MOL001532 | Phytosterol | 414.79 | 8.08 | 36.91 | 0.75 | |||
MOL001521 | Ceanothic acid | 486.76 | 5.36 | 33.41 | 0.77 | |||
MOL000211 | Mairin | 456.78 | 6.52 | 55.38 | 0.78 | |||
MOL001539 | Sanjoinenine | 489.67 | 4.23 | 67.28 | 0.79 | |||
Dalbergiaeodoriferae lignum | Dalbergia odorifera T.C.Chen | 0.020 (7.8) | ||||||
MOL002958 | 3′-Hydroxymelanettin | 300.28 | 2.56 | 30.69 | 0.27 | |||
MOL001792 | DFV | 256.27 | 2.57 | 32.76 | 0.18 | |||
MOL002957 | 9-O-Methylcoumestrol | 282.26 | 3.26 | 33.73 | 0.38 | |||
MOL002982 | (3R,4R)-3′,7-dihydroxy-2′,4′-dimethoxy-4-[(2S)-4′,5,7-trihydroxyflavanone-6-yl]isoflavan | 572.6 | 4.88 | 33.96 | 0.63 | |||
MOL002967 | 7-hydroxy-4′-methoxy-2′,5′-dioxo-4-[(3R)-2′,7-dihydroxy-4′-methoxyisoflavan-5′-yl]isoflavane | 556.6 | 4.26 | 34.78 | 0.7 | |||
MOL003000 | Stevein | 284.28 | 2.83 | 36.54 | 0.24 | |||
MOL000359 | Sitosterol | 414.79 | 8.08 | 36.91 | 0.75 | |||
MOL000358 | β-sitosterol | 414.79 | 8.08 | 36.91 | 0.75 | |||
MOL002991 | (6aR,11aR)-3,9-dimethoxy-6a,11a-dihydro -6H-benzofurano[3,2-c]chromene-4,10-diol | 316.33 | 2.37 | 38.96 | 0.48 | |||
MOL002963 | 4′,5′,7-trimethyl-3-methoxyflavone | 294.37 | 4.1 | 40.66 | 0.25 | |||
MOL002914 | Eriodyctiol (flavanone) | 288.27 | 2.03 | 41.35 | 0.24 | |||
MOL001040 | (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl) chroman-4-one | 272.27 | 2.3 | 42.36 | 0.21 | |||
MOL002962 | (3S)-7-hydroxy-3-(2,3,4-trimethoxyphenyl) chroman-4-one | 330.36 | 2.67 | 48.23 | 0.33 | |||
MOL002989 | 4-Hydroxyhomopterocarpin | 300.33 | 2.64 | 48.41 | 0.43 | |||
MOL002959 | 3′-Methoxydaidzein | 284.28 | 2.32 | 48.57 | 0.24 | |||
MOL002565 | Medicarpin | 270.3 | 2.66 | 49.22 | 0.34 | |||
MOL002940 | (3R)-3-(2,3-dihydroxy-4-methoxyphenyl) -7-hydroxychroman-4-one | 302.3 | 2.16 | 52.06 | 0.27 | |||
MOL003001 | Vestitone | 286.3 | 2.43 | 52.83 | 0.24 | |||
MOL002996 | Odoricarpin | 330.36 | 2.63 | 55.02 | 0.53 | |||
MOL000228 | (2R)-7-hydroxy-5-methoxy-2- phenylchroman-4-one | 270.3 | 2.82 | 55.23 | 0.2 | |||
MOL002973 | Bowdichione | 298.26 | 0.64 | 55.78 | 0.28 | |||
MOL000380 | (6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro- 6H-benzofurano[3,2-c]chromen-3-ol | 300.33 | 2.64 | 64.26 | 0.42 | |||
MOL002990 | (6aR,11aR)-3,9,10-trimethoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-4-ol | 330.36 | 2.63 | 66.86 | 0.53 | |||
MOL002938 | (3R)-4′-Methoxy-2′,3, 7-trihydroxyisoflavanone | 302.3 | 1.83 | 68.86 | 0.27 | |||
MOL002950 | (3R)-7,2′,3′-trihydroxy-4 -methoxyisoflavan | 288.32 | 2.21 | 69.65 | 0.24 | |||
MOL000392 | Formononetin | 268.28 | 2.58 | 69.67 | 0.21 | |||
MOL002975 | Butin | 272.27 | 2.3 | 69.94 | 0.21 | |||
MOL002961 | (-)-Vestitol | 272.32 | 3.15 | 70.29 | 0.21 | |||
MOL002981 | Duartin | 332.38 | 3.11 | 70.63 | 0.34 | |||
MOL003003 | Xenognosin B | 284.28 | 2.32 | 72.71 | 0.24 | |||
MOL002985 | Isoduartin | 332.38 | 3.11 | 74.11 | 0.34 | |||
MOL002966 | Dalbergin | 268.28 | 3.1 | 78.18 | 0.2 | |||
MOL003002 | Violanone | 316.33 | 2.42 | 80.24 | 0.3 | |||
MOL002941 | (3R)-3-(2,3-dihydroxy-4-methoxyphenyl) chroman-7,8-diol | 304.32 | 2.61 | 82.35 | 0.27 | |||
MOL002939 | (3R)-5′-Methoxyvestitol | 302.35 | 3.13 | 83.06 | 0.26 | |||
MOL002999 | Sativanone | 300.33 | 2.68 | 85.63 | 0.27 | |||
MOL002997 | 3-(2-hydroxy-3,4-dimethoxyphenyl)-2H-chromen-7-ol | 300.33 | 2.95 | 86.18 | 0.27 | |||
Santalaceae | Santalum album L. | 0.008 (3.1) | ||||||
MOL000354 | Isorhamnetin | 316.28 | 1.76 | 49.6 | 0.31 | |||
MOL000006 | luteolin | 286.25 | 2.07 | 36.16 | 0.25 | |||
MOL002322 | Isovitexin | 432.41 | −0.06 | 31.29 | 0.72 | |||
Olibanum | Burseraceae | 0.008 (3.1) | ||||||
MOL001215 | Tirucallol | 426.8 | 8.12 | 42.12 | 0.75 | |||
MOL001241 | O-acetyl-α-boswellic acid | 498.82 | 6.8 | 42.73 | 0.7 | |||
MOL001243 | 3alpha-Hydroxy-olean-12-en- 24-oic-acid | 456.78 | 6.42 | 39.32 | 0.75 | |||
MOL001255 | Boswellic acid | 456.78 | 6.47 | 39.55 | 0.75 | |||
MOL001263 | 3-oxo-tirucallic,acid | 454.76 | 6.99 | 42.86 | 0.81 | |||
MOL001265 | Acetyl-alpha-boswellic,acid | 498.82 | 6.8 | 42.73 | 0.7 | |||
MOL001272 | Incensole | 306.54 | 4.97 | 45.59 | 0.22 | |||
MOL001295 | Phyllocladene | 272.52 | 5.63 | 33.4 | 0.27 | |||
Borneolum | Blumea balsamifera DC. | 0.006 (2.3) | ||||||
MOL006862 | Bronyl acetate | 447.55 | 4.02 | 59.3 | 0.51 | |||
MOL006861 | Asiatic acid | 488.78 | 4.3 | 41.38 | 0.71 | |||
MOL006865 | Dipterocarpol | 442.8 | 6.92 | 41.71 | 0.76 | |||
Cicadidae | Cicadae Periostracum | 0.031 (11.7) | ||||||
Hirudo | Haemopidae | 0.049 (18.8) | ||||||
Scorpio | Buthidae | 0.031 (11.7) | ||||||
Scolopendra | Scolopendrasubspinipesmutilans L. Koch | 0.006 (2.4) | ||||||
EupolyphagaSteleophaga | Corydiidae | 0.031 (11.7) |
Ratio is displayed in form of g (%), and one tablet of TXL is 0.26 g.
Abbreviations: AlogP, partition coefficient of concentration of drug in octanol/concentration of drug in aqueous solution; MW, molecular weight.