| Phytochemical Name : Betavulgarin |
| PCNDIDB0096 |
| Pubchem CID : 442668 |
| Molecular formula: C17H12O6 |
| Canonical SMILES : COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=CC=C4O |
Synonymes : Betavulgarin|51068-94-1|UNII-6ZPC914C84|6ZPC914C84|2'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone|8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 7-(2-hydroxyphenyl)-9-methoxy-|7-(2-hydroxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one|CHEBI:3081|DTXSID30331899|LMPK12050361|2'-hydroxy-6,7-methylenedioxy-5-methoxyisoflavone|Q27105938|7-(2-hydroxyphenyl)-9-methoxy-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-8-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.400 |
| Log Po/w (XLOGP3) : 2.610 |
| Log Po/w (WLOGP) : 2.900 |
| Log Po/w (MLOGP) : 0.870 |
| Log Po/w (SILICOS-IT) : 3.390 |
| Consensus Log Po/w : 2.440 |