| Phytochemical Name : Suberosin |
| PCNDIDS0170 |
| Pubchem CID : 68486 |
| Molecular formula: C15H16O3 |
| Canonical SMILES : CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)OC)C |
Synonymes : Suberosin|581-31-7|7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one|Coumarin, 7-methoxy-6-(3-methyl-2-butenyl)-|2H-1-Benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)-|NSC31869|CHEMBL1928409|CHEBI:69041|NSC 31869|7-Methoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one|2H-1-Benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)- (9CI)|7-methoxy-6-prenylcoumarin|MEGxp0_001424|SCHEMBL6273982|ACon1_000574|DTXSID20206820|HY-N1196|BDBM50361375|NSC-31869|AKOS028108564|AC-34687|MS-23456|NCI60_002737|CS-0016488|FT-0777160|Q27137382|7-Methoxy-6-(3-methyl-2-butenyl)-2H-chromen-2-one #|7-Methoxy-6-(3-methyl-2-buten-1-yl)-2H-chromen-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.100 |
| Log Po/w (XLOGP3) : 3.810 |
| Log Po/w (WLOGP) : 3.310 |
| Log Po/w (MLOGP) : 2.630 |
| Log Po/w (SILICOS-IT) : 4.030 |
| Consensus Log Po/w : 3.370 |