| Phytochemical Name : Abietatriene |
| PCNDIDA0001 |
| Pubchem CID : 6432211 |
| Molecular formula: C20H30 |
| Canonical SMILES : CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C |
Synonymes : Abietatriene|Dehydroabietane|Abieta-8,11,13-triene|Dehydroabietan|Podocarpa-8,11,13-triene, 13-isopropyl-|CHEBI:86062|Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-|Ar-Abietatriene|dehydroabietadiene|C20-H30|Abietane, dehydro-|8,11,13-Abietatriene|CHEMBL3343789|(4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene|C21425|Q27158870|(4aS,10aS)-7-isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.850 |
| Log Po/w (XLOGP3) : 7.070 |
| Log Po/w (WLOGP) : 5.840 |
| Log Po/w (MLOGP) : 6.640 |
| Log Po/w (SILICOS-IT) : 5.990 |
| Consensus Log Po/w : 5.880 |