| Phytochemical Name : Isoflavone |
| PCNDIDI0068 |
| Pubchem CID : 72304 |
| Molecular formula: C15H10O2 |
| Canonical SMILES : C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O |
Synonymes : Isoflavone|574-12-9|3-phenyl-4H-chromen-4-one|3-phenylchromen-4-one|4H-1-Benzopyran-4-one, 3-phenyl-|isoflavon|3-Phenylchromone|3-phenyl-4H-1-benzopyran-4-one|UNII-OVO2KUW8H8|OVO2KUW8H8|NSC-135405|CHEBI:18220|NSC135405|NSC 135405|Isoflavone - 98%|ISOFLAVONE [MI]|SCHEMBL8028|CHEMBL366460|DTXSID90205986|AMY33371|BCP22856|MFCD00100851|AKOS015918505|BCP9000133|CCG-214095|CS-W006405|DB12007|DS-6374|HY-W006405|AC-12802|LS-191186|FT-0627415|C00799|J-521538|Q27102918|B-D-Glucopyranoside,phenyl2,3-bis-O-(phenylmethyl)-4,6-O-[(R)-phenylmethylene]-1-thio- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.510 |
| Log Po/w (XLOGP3) : 3.180 |
| Log Po/w (WLOGP) : 3.460 |
| Log Po/w (MLOGP) : 2.270 |
| Log Po/w (SILICOS-IT) : 4.040 |
| Consensus Log Po/w : 3.090 |