| Phytochemical Name : Triptonoditerpenic acid |
| PCNDIDT0108 |
| Pubchem CID : 132263 |
| Molecular formula: C21H28O4 |
| Canonical SMILES : CC1=C(CCC2(C1CCC3=C(C(=C(C=C32)OC)C(C)C)O)C)C(=O)O |
Synonymes : Triptonoditerpenic acid|139953-20-1|DTXSID00930671|8-hydroxy-6-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid|2-Phenanthrenecarboxylic acid, 3,4,4a,9,10,10a-hexahydro-8-hydroxy-6-methoxy-1,4a-dimethyl-7-(1-methylethyl)-|8-HYDROXY-6-METHOXY-1,4A-DIMETHYL-7-(PROPAN-2-YL)-3,4,4A,9,10,10A-HEXAHYDROPHENANTHRENE-2-CARBOXYLIC ACID |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.950 |
| Log Po/w (XLOGP3) : 4.490 |
| Log Po/w (WLOGP) : 4.540 |
| Log Po/w (MLOGP) : 3.390 |
| Log Po/w (SILICOS-IT) : 4.480 |
| Consensus Log Po/w : 3.970 |