| Phytochemical Name : 7-hydroxy-3-(4-hydroxyphenyl)-8-((3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-4H-chromen-4-one |
| PCNDIDOT1021 |
| Pubchem CID : 5486172 |
| Molecular formula: C21H20O9 |
| Canonical SMILES : C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O |
Synonymes : Puerarin|3681-99-0|MLS001213192|SPECTRUM1505001|CHEMBL1334785|SCHEMBL12107929|HMS2860N06|AKOS015895127|CCG-214182|8-c-glucosyl-7,4'-dihydroxy isoflavone|SMR000542845|LS-126358|4,7-DIHYDROXY-8-C-GLUCOSYLISOFLAVONE|BRD-A24433358-001-04-2|7-hydroxy-3-(4-hydroxyphenyl)-8-((3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-4H-chromen-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.960 |
| Log Po/w (XLOGP3) : 0.010 |
| Log Po/w (WLOGP) : 0.060 |
| Log Po/w (MLOGP) : -1.520 |
| Log Po/w (SILICOS-IT) : 0.810 |
| Consensus Log Po/w : 0.270 |