| Phytochemical Name : Sophoranone |
| PCNDIDS0133 |
| Pubchem CID : 441767 |
| Molecular formula: C30H36O4 |
| Canonical SMILES : CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C2CC(=O)C3=C(O2)C(=C(C=C3)O)CC=C(C)C)C |
Synonymes : Sophoranone|23057-55-8|(-)-Sophoranone|CHEBI:9199|(2S)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one|[S,(-)]-2,3-DIHYDRO-7-HYDROXY-2-[4-HYDROXY-3,5-BIS(3-METHYL-2-BUTENYL)PHENYL]-8-(3-METHYL-2-BUTENYL)-4H-1-BENZOPYRAN-4-ONE|SCHEMBL3064706|CHEMBL3314594|DTXSID60331625|LMPK12140034|MFCD29048556|AKOS040760716|C08719|Q27108307|(2S)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.630 |
| Log Po/w (XLOGP3) : 7.970 |
| Log Po/w (WLOGP) : 7.010 |
| Log Po/w (MLOGP) : 4.300 |
| Log Po/w (SILICOS-IT) : 7.870 |
| Consensus Log Po/w : 6.360 |