3,3'-O-Dimethylquercetin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL511363 | |
| PubChem: | 5316900 | |
| IUPAC: | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxychromen-4-one | |
| Standard InChI: | InChI=1S/C17H14O7/c1-22-12-5-8(3-4-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3 | |
| Standard InChI Key: | FMEHGPQTMOPUGM-UHFFFAOYSA-N | |
| SMILES: | COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1OC)O | |
Molecular propeties
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| AlogP: | 2.59 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 330.07 | |
| Topological polar surface area: | 105 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.118 | |
| Number of carbons: | 17 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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