| Phytochemical Name : Neobavaisoflavone |
| PCNDIDN0033 |
| Pubchem CID : 5320053 |
| Molecular formula: C20H18O4 |
| Canonical SMILES : CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)C |
Synonymes : Neobavaisoflavone|41060-15-5|3'-Prenyldaidzein|7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one|CHEBI:66614|7-hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-1-benzopyran-4-one|eobavaisoflavoe|7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one|7-Hydroxy-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-4H-chromen-4-one|3?-Prenylliquiritigenin|CHEMBL512693|SCHEMBL23028387|DTXSID30415769|GLXC-13259|HY-N0720|Neobavaisoflavone, >=98% (HPLC)|LMPK12050027|MFCD00800660|s9286|AKOS032948372|CCG-265102|CS-3755|AC-34893|AS-57049|XP161915|FT-0689387|N1122|A873151|4',7-Dihydroxy-3'-(3-methyl-2-butenyl)isoflavone|7,4'-dihydroxy-3'-(3-methyl-buten-2-yl)isoflavone|Q27135233|7,4'-dihydroxy-3'-(gamma,gamma-dimethylallyl)isoflavone|7,4'-dihydroxy-3'-gamma,gamma-dimethylallyl isoflavone|7-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)-4H-chromen-4-one|7-Hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-chromen-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.030 |
| Log Po/w (XLOGP3) : 4.400 |
| Log Po/w (WLOGP) : 4.380 |
| Log Po/w (MLOGP) : 2.200 |
| Log Po/w (SILICOS-IT) : 4.690 |
| Consensus Log Po/w : 3.740 |