Okanin
Representations & DB's id
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| ChEBI: | CHEBI:7734 | |
|---|---|---|
| ChEMBL: | CHEMBL222557 | |
| PubChem: | 5281294 | |
| IUPAC: | (E)-3-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C15H12O6/c16-10(9-3-6-12(18)15(21)14(9)20)4-1-8-2-5-11(17)13(19)7-8/h1-7,17-21H/b4-1+ | |
| Standard InChI Key: | GSBNFGRTUCCBTK-DAFODLJHSA-N | |
| SMILES: | Oc1ccc(cc1O)/C=C/C(=O)c1ccc(c(c1O)O)O | |
Molecular propeties
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| AlogP: | 2.11 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 2 | |
| Molecular Weight: | 288.06 | |
| Topological polar surface area: | 118 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0 | |
| Number of carbons: | 15 | |