| Phytochemical Name : Demethylsuberosin |
| PCNDIDD0065 |
| Pubchem CID : 5316525 |
| Molecular formula: C14H14O3 |
| Canonical SMILES : CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C |
Synonymes : Demethylsuberosin|21422-04-8|7-Demethylsuberosin|7-hydroxy-6-(3-methylbut-2-enyl)chromen-2-one|7-demethylsuberosine|SDM71QIW25|CHEMBL502689|2H-1-Benzopyran-2-one, 7-hydroxy-6-(3-methyl-2-butenyl)-|CHEBI:69042|7-hydroxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one|UNII-SDM71QIW25|7-hydroxy-6-prenylcoumarin|MEGxp0_001461|SCHEMBL4773171|DTXSID90175695|2H-1-Benzopyran-2-one, 7-hydroxy-6-(3-methyl-2-buten-1-yl)-|2H-1-Benzopyran-2-one,7-hydroxy-6-(3-methyl-2-buten-1-yl)-|HY-N2488|BDBM50292574|6-(DIMETHYLALLYL)UMBELLIFERONE|7-hydroxy-6-prenyl-1-benzopyran-2-one|6-(3,3-dimethylallyl)-7-hydroxycoumarin|AC-34612|MS-23308|XD163696|CS-0022759|FT-0777068|C18083|E80688|A901542|COUMARIN, 7-HYDROXY-6-(3-METHYL-2-BUTENYL)-|Q27137383|7-HYDROXY-6-(3-METHYL-2-BUTEN-1-YL)-2H-1-BENZOPYRAN-2-ONE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.760 |
| Log Po/w (XLOGP3) : 2.730 |
| Log Po/w (WLOGP) : 3.120 |
| Log Po/w (MLOGP) : 0.530 |
| Log Po/w (SILICOS-IT) : 3.820 |
| Consensus Log Po/w : 2.790 |