Isobavachalcone
Representations & DB's id
| ||
| ChEBI: | CHEBI:28106 | |
|---|---|---|
| ChEMBL: | CHEMBL253467 | |
| PubChem: | 5281255 | |
| IUPAC: | (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+ | |
| Standard InChI Key: | DUWPGRAKHMEPCM-IZZDOVSWSA-N | |
| SMILES: | CC(=CCc1c(O)ccc(c1O)C(=O)/C=C/c1ccc(cc1)O)C | |
Molecular propeties
| ||
| AlogP: | 4.21 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 324.14 | |
| Topological polar surface area: | 77.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.15 | |
| Number of carbons: | 20 | |