| Phytochemical Name : Pedalitin |
| PCNDIDP0033 |
| Pubchem CID : 31161 |
| Molecular formula: C16H12O7 |
| Canonical SMILES : COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)O |
Synonymes : Pedalitin|22384-63-0|3',4',5,6-Tetrahydroxy-7-methoxyflavone|2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxychromen-4-one|FLAVONE, 3',4',5,6-TETRAHYDROXY-7-METHOXY-|BRN 1296526|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-|CHEBI:7947|CHEMBL476314|DS9S9Z36F2|5,6,3',4'-Tetrahydroxy-7-methoxyflavone|2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one|2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one; 5,6,3',4'-Tetrahydroxy-7-methoxyflavone; 6-Hydroxyluteolin-7-methyl ether|UNII-DS9S9Z36F2|SCHEMBL6240689|DTXSID40176915|HY-N3101|BDBM50412283|LMPK12111231|AKOS040760097|6-HYDROXYLUTEOLIN-7-METHYL ETHER|LS-69042|3',4',5,6-Tetrahydroxy-7-methoxy-Flavone|CS-0023226|Q27089369|2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-chromen-4-one|2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-chromen-4-one #|2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one, 9CI |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.250 |
| Log Po/w (XLOGP3) : 2.500 |
| Log Po/w (WLOGP) : 2.290 |
| Log Po/w (MLOGP) : -0.310 |
| Log Po/w (SILICOS-IT) : 2.060 |
| Consensus Log Po/w : 1.560 |