| Phytochemical Name : Otobain |
| PCNDIDO0040 |
| Pubchem CID : 442928 |
| Molecular formula: C20H20O4 |
| Canonical SMILES : CC1CC2=C(C(C1C)C3=CC4=C(C=C3)OCO4)C5=C(C=C2)OCO5 |
Synonymes : Otobain|Otobain [MI]|UNII-1TL45YF84D|NSC-119120|NSC-407222|1TL45YF84D|3738-01-0|Naphtho(1,2-d)-1,3-dioxole, 9-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-7,8-dimethyl-, (7S,8R,9R)-|CC1C(C)Cc2ccc3OCOc3c2C1c4ccc5OCOc5c4|CHEBI:7803|(7S,8R,9R)-9-(1,3-Benzodiox-ol-5-yl)-6,7,8,9-tetrahydro-7,8-dimethylnaphtho[1,2-d]-1,3-diox-ole|Q27107589 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.590 |
| Log Po/w (XLOGP3) : 4.880 |
| Log Po/w (WLOGP) : 4.100 |
| Log Po/w (MLOGP) : 3.620 |
| Log Po/w (SILICOS-IT) : 4.380 |
| Consensus Log Po/w : 4.110 |