Isorhamnetin
Representations & DB's id
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| ChEBI: | CHEBI:6052 | |
|---|---|---|
| ChEMBL: | CHEMBL379064 | |
| PubChem: | 5281654 | |
| IUPAC: | 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 | |
| Standard InChI Key: | IZQSVPBOUDKVDZ-UHFFFAOYSA-N | |
| SMILES: | COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O | |
Molecular propeties
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| AlogP: | 2.29 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 316.06 | |
| Topological polar surface area: | 116 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |