| Phytochemical Name : Glyasperin B |
| PCNDIDG0107 |
| Pubchem CID : 480784 |
| Molecular formula: C21H22O6 |
| Canonical SMILES : CC(=CCC1=C(C=C2C(=C1O)C(=O)C(CO2)C3=C(C=C(C=C3)O)O)OC)C |
Synonymes : Glyasperin B|142488-54-8|3-(2,4-Dihydroxy-phenyl)-5-hydroxy-7-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one|CHEMBL4640760|SCHEMBL12866209|DTXSID80931489|3-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methylbut-2-en-1-yl)chroman-4-one|3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chroman-4-one|3-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one|3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.840 |
| Log Po/w (XLOGP3) : 4.460 |
| Log Po/w (WLOGP) : 3.680 |
| Log Po/w (MLOGP) : 1.500 |
| Log Po/w (SILICOS-IT) : 3.810 |
| Consensus Log Po/w : 3.260 |