| Phytochemical Name : Pseudobaptigenin |
| PCNDIDP0197 |
| Pubchem CID : 5281805 |
| Molecular formula: C16H10O5 |
| Canonical SMILES : C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O |
Synonymes : Pseudobaptigenin|Psi-baptigenin|90-29-9|.psi.-Baptigenin|NSC-100796|7-Hydroxy-3',4'-methylenedioxyisoflavone|UNII-78RRL4HLL9|78RRL4HLL9|PSEUDOBABTIGEN|CHEBI:8602|pseudobaptisin aglycone|7-hydroxy-3',4'-(methylenedioxy)isoflavone|3-(1,3-Benzodioxol-5-yl)-7-hydroxy-4H-chromen-4-one|3-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one|NSC 100796|3-(1,3-benzodioxol-5-yl)-7-hydroxychromen-4-one|7-Hydroxy-3', 4'-methylenedioxyisoflavone|CHEMBL486176|3-(benzo[d][1,3]dioxol-5-yl)-7-hydroxy-4H-chromen-4-one|4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-yl)-7-hydroxy-|DTXSID70237982|NSC100796|psedobaptigenin|pseudobaptogenin|y-Baptigenin|Spectrum_001748|Spectrum4_001241|Spectrum5_001868|PSEUDOBAPTIGENIN(RG)|SCHEMBL73016|KBioGR_001762|KBioSS_002228|PSEUDOBAPTIGENIN [MI]|KBio2_002228|KBio2_004796|KBio2_007364|DTXCID20160473|Isoflavone,4'-(methylenedioxy)-|BDBM50299414|CCG-40053|LMPK12050053|AKOS000277200|FT-0704675|7-Hydroxy-3',4'-(methylenedioxy)-Isoflavone|N13311|Q7254529|3-(1,3-benzodioxol-5-yl)-7-hydroxy-chromen-4-one|4H-1-Benzopyran-4-one,3-benzodioxol-5-yl)-7-hydroxy-|3-(2H-1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromen-4-one|3-(1,3-Benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one, 9CI|77069-09-1 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.480 |
| Log Po/w (XLOGP3) : 2.640 |
| Log Po/w (WLOGP) : 2.890 |
| Log Po/w (MLOGP) : 1.170 |
| Log Po/w (SILICOS-IT) : 3.380 |
| Consensus Log Po/w : 2.510 |