| Phytochemical Name : Dehydroagastol |
| PCNDIDD0028 |
| Pubchem CID : 126634 |
| Molecular formula: C21H26O4 |
| Canonical SMILES : CC1CCC2(C(C1=C)CC(=O)C3=C2C(=C(C(=C3O)C(=C)C)OC)O)C |
Synonymes : Dehydroagastol|142182-52-3|19(4-3)Abeo-11,14-dihydroxy-12-methoxy-abieta-8,11,13,15-tetraen-7-one|DTXSID20161965|(2S,4aS,10aS)-5,8-dihydroxy-6-methoxy-2,4a-dimethyl-1-methylidene-7-prop-1-en-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one|9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-5,8-dihydroxy-6-methoxy-2,4a-dimethyl-1-methylene-7-(1-methylethenyl)-, (2S-(2alpha,4aalpha,10abeta))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.390 |
| Log Po/w (XLOGP3) : 3.500 |
| Log Po/w (WLOGP) : 3.090 |
| Log Po/w (MLOGP) : 1.380 |
| Log Po/w (SILICOS-IT) : 3.910 |
| Consensus Log Po/w : 3.060 |