| Phytochemical Name : (1S,4As,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
| PCNDIDOT0107 |
| Pubchem CID : 1201531 |
| Molecular formula: C20H28O2 |
| Canonical SMILES : CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C |
Synonymes : 5155-70-4|(1S,4As,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid|Callitrisic acid|4-Epidehydroabietic acid|Podocarpa-8,11,13-trien-16-oic acid, 13-isopropyl-|SCHEMBL222079|CHEMBL2431478|DTXSID00859676|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-|AKOS015893064 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.890 |
| Log Po/w (XLOGP3) : 4.800 |
| Log Po/w (WLOGP) : 4.900 |
| Log Po/w (MLOGP) : 4.450 |
| Log Po/w (SILICOS-IT) : 4.910 |
| Consensus Log Po/w : 4.390 |