| Phytochemical Name : Semilicoisoflavone B |
| PCNDIDS0075 |
| Pubchem CID : 5481948 |
| Molecular formula: C20H16O6 |
| Canonical SMILES : CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)C |
Synonymes : Semilicoisoflavone B|129280-33-7|UNII-T9TP371NFX|T9TP371NFX|CHEBI:69093|5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one|DTXSID60156133|5,7,8'-Trihydroxy-2',2'-dimethyl-2'H-(3,6')bi(1-benzopyranyl)-4-one|SemilicoisoflavoneB|5,7,8'-Trihydroxy-2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one|5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one|4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-3-(8-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-|5,7,8'-Trihydroxy-2',2'-dimethyl-2'H-[3,6']bi[1-benzopyranyl]-4-one|MLS000697602|SCHEMBL755145|CHEMBL1864439|DTXCID9078624|HMS2269L18|HY-N1280|LMPK12050248|AKOS032949073|NCGC00247522-01|MS-25458|SMR000470941|CS-0016684|FT-0775385|Q27137434|5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)chromen-4-one|5,7-Dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one, 9CI |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.050 |
| Log Po/w (XLOGP3) : 3.590 |
| Log Po/w (WLOGP) : 3.650 |
| Log Po/w (MLOGP) : 1.090 |
| Log Po/w (SILICOS-IT) : 3.420 |
| Consensus Log Po/w : 2.960 |