Table 2.
ADME analysis
| S. no | Compound name | PubChem ID | Analysis | |
|---|---|---|---|---|
| 1 | 11-Keto-β-boswellic acid methyl ester | CID: 101,695,788 | MW | 468.71 g/mol |
| L | 7.39 | |||
| HD | 0 | |||
| HA | 3 | |||
| V | 1 | |||
| 2 | AC1L4F91 | CID: 155,934 | MW | 472.71 |
| L | 6.06 | |||
| HD | 3 | |||
| HA | 3 | |||
| V | 1 | |||
| 3 | α-Campholenic-Acid | CID: 117,235 | MW | 168.24 |
| L | 2.45 | |||
| HD | 1 | |||
| HA | 1 | |||
| V | 0 | |||
| 4 | Euphane | CID: 12,312,921 | MW | 414.76 |
| L | 9.52 | |||
| HD | 0 | |||
| HA | 0 | |||
| V | 1 | |||
| 5 | Phytosterols | CID: 12,303,662 | MW | 414.72 |
| L | 8.02 | |||
| HD | 1 | |||
| HA | 1 | |||
| V | 1 | |||
| 6 | α-Amyrin | CID: 225,688 | MW | 426.73 |
| L | 8.02 | |||
| HD | 1 | |||
| HA | 1 | |||
| V | 1 | |||
| 7 | (−)-Camphene | CID: 440,966 | MW | 136.24 |
| L | 3.00 | |||
| HD | 0 | |||
| HA | 0 | |||
| V | 0 | |||
| 8 | (+)-α-Phellandrene | CID: 443,160 | MW | 136.24 |
| L | 3.16 | |||
| HD | 0 | |||
| HA | 0 | |||
| V | 0 | |||
| 9 | (1S,2R,4S)-(−)-Bornyl acetate | CID: 442,460 | MW | 196.29 |
| L | 2.76 | |||
| HD | 0 | |||
| HA | 2 | |||
| V | 0 | |||
| 10 | 11-Keto-β-boswellic acid | CID: 9,847,548 | MW | 470.69 |
| L | 6.27 | |||
| HD | 2 | |||
| HA | 3 | |||
| V | 1 | |||
| 11 | 3-Acetyl-β-boswellic acid | CID: 11,386,458 | MW | 498.75 |
| L | 7.66 | |||
| HD | 1 | |||
| HA | 3 | |||
| V | 1 | |||
| 12 | 3-Carene | CID: 26,049 | MW | 136.24 |
| L | 3.00 | |||
| HD | 0 | |||
| HA | 0 | |||
| V | 0 | |||
| 13 | 3-O-Acetyl-11-Keto-β-Boswellic-Acid | CID: 11,168,203 | MW | 512.73 |
| L | 6.84 | |||
| HD | 1 | |||
| HA | 4 | |||
| V | 2 | |||
| 14 | α-Boswellic acid | CID: 637,234 | MW | 456.71 |
| L | 7.23 | |||
| HD | 2 | |||
| HA | 2 | |||
| V | 1 | |||
| 15 | α-Campholytic-Aci | CID: 11,091 | MW | 154.21 |
| L | 2.06 | |||
| HD | 1 | |||
| HA | 1 | |||
| V | 0 | |||
| 16 | α-Terpinene | CID: 7462 | MW | 136.24 |
| L | 3.31 | |||
| HD | 0 | |||
| HA | 0 | |||
| V | 0 | |||
| 17 | β-Boswellic acid | CID: 168,928 | MW | 456.71 |
| L | 7.09 | |||
| HD | 2 | |||
| HA | 2 | |||
| V | 1 | |||
| 18 | β-Pinene | CID: 14,896 | MW | 136.24 |
| L | 3.00 | |||
| HD | 0 | |||
| HA | 0 | |||
| V | 0 | |||
| 19 | Dipentene | CID: 22,311 | MW | 136.24 |
| L | 3.31 | |||
| HD | 0 | |||
| HA | 0 | |||
| V | 0 | |||
| 20 | l-Arabinose | CID: 439,195 | MW | 150.13 |
| L | − 2.58 | |||
| HD | 4 | |||
| HA | 5 | |||
| V | 0 | |||
| 21 | l-Idose | CID: 11,030,410 | MW | 180.16 |
| L | − 3.22 | |||
| HD | 5 | |||
| HA | 6 | |||
| V | 0 | |||
| 22 | Myrcene | CID: 31,253 | MW | 136.24 |
| L | 3.48 | |||
| HD | 0 | |||
| HA | 0 | |||
| V | 0 | |||
| 23 | P-Cymene | CID: 7463 | MW | 134.22 |
| L | 3.12 | |||
| HD | 0 | |||
| HA | 0 | |||
| V | 0 | |||
| 24 | Rhamnose | 19,233 | MW | 164.16 |
| L | − 2.35 | |||
| HD | 4 | |||
| HA | 5 | |||
| V | 0 | |||
| 25 | Serratol | 101,618,281 | MW | 290.49 |
| L | 5.96 | |||
| HD | 1 | |||
| HA | 1 | |||
| V | 1 | |||
| 26 | Ursane | CID: 9,548,870 | MW | 412.75 |
| L | 9.13 | |||
| HD | 0 | |||
| HA | 0 | |||
| V | 1 | |||
MW molecular weight, L lipophilicity, HD H bond donor, HA H bond acceptor, V violations