3,5,7-Trimethoxyflavone
Representations & DB's id
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| ChEBI: | CHEBI:5263 | |
|---|---|---|
| ChEMBL: | CHEMBL75772 | |
| PubChem: | 117900 | |
| IUPAC: | 3,5,7-trimethoxy-2-phenylchromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O5/c1-20-12-9-13(21-2)15-14(10-12)23-17(18(22-3)16(15)19)11-7-5-4-6-8-11/h4-10H,1-3H3 | |
| Standard InChI Key: | CBTHKWVPSIGKMI-UHFFFAOYSA-N | |
| SMILES: | COc1cc(OC)c2c(c1)oc(c(c2=O)OC)c1ccccc1 | |
Molecular propeties
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| AlogP: | 3.49 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 312.1 | |
| Topological polar surface area: | 54 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 18 | |