| Phytochemical Name : Triptonoterpene methyl ether |
| PCNDIDT0110 |
| Pubchem CID : 15011611 |
| Molecular formula: C21H30O3 |
| Canonical SMILES : CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC(=O)C3(C)C)C)O |
Synonymes : Triptonoterpene methyl ether|(4aS,10aR)-5-Hydroxy-7-isopropyl-8-methoxy-1,1,4a-trimethyl-1,4,4a,9,10,10a-hexahydrophenanthren-2(3H)-one|99694-88-9|CHEMBL3798093|CHEBI:132483|11-hydroxy-14-methoxyabieta-8,11,13-trien-3-one|Q27225594|11-hydroxy-14-methoxyabieta-8(14),9(11),12-trien-3-one|(4aS,10aR)-5-hydroxy-8-methoxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.250 |
| Log Po/w (XLOGP3) : 4.840 |
| Log Po/w (WLOGP) : 4.730 |
| Log Po/w (MLOGP) : 3.510 |
| Log Po/w (SILICOS-IT) : 5.250 |
| Consensus Log Po/w : 4.320 |