| Phytochemical Name : Isosinensetin |
| PCNDIDI0124 |
| Pubchem CID : 632135 |
| Molecular formula: C20H20O7 |
| Canonical SMILES : COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC |
Synonymes : Isosinensetin|17290-70-9|6-Demethoxynobiletin|5,7,8,3',4'-pentamethoxyflavone|2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-chromen-4-one|6-Demethoxylnobiletin|2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one|UNII-63Z99S38LE|Flavone, 3',4',5,7,8-pentamethoxy-|63Z99S38LE|DTXSID80348199|4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-|3',4',5,7,8-Pentamethoxyflavone|SCHEMBL987761|CHEMBL451707|DTXCID60299271|CHEBI:175779|HY-N1941|LMPK12111403|AKOS016012041|AC-34952|AS-57493|XI161836|CS-0018252|FT-0775464|Isosinensetin3',4' ,5,7,8-pentamethoxyflavone|A881826|Q27263667|2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-1-benzopyran-4-one|2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-chromen-4-one #|2-(3,4-DimethoIsosinensetinxyphenyl)-5,7,8-trimethoxy-4H-chromen-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.510 |
| Log Po/w (XLOGP3) : 3.040 |
| Log Po/w (WLOGP) : 3.500 |
| Log Po/w (MLOGP) : 0.630 |
| Log Po/w (SILICOS-IT) : 4.210 |
| Consensus Log Po/w : 2.980 |