| Phytochemical Name : 1,4a-Dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
| PCNDIDOT0341 |
| Pubchem CID : 15618 |
| Molecular formula: C20H28O2 |
| Canonical SMILES : CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C |
Synonymes : 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid|(1R,4aS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid|112989-11-4|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.)]-|Oprea1_166992|Oprea1_828433|SCHEMBL2603437|(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid|1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-|BCP18786|NSC59954|NSC-59954|AKOS000673132|AKOS021983985|SR-01000388351|SR-01000388351-1|BRD-A55799244-001-01-2|1,4a-Dimethyl-7-isopropyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid|7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid|7-ISOPROPYL-1,4A-DIMETHYL-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1-PHENANTHRENECARBOXYLIC ACID |
| Structure | |
| 3D structure | 2D structure |
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| 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 |