Cirsilineol
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL458269 | |
| PubChem: | 14235159 | |
| IUPAC: | 2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O6/c1-21-16-6-10(4-5-12(16)19)14-8-13(20)11-7-17(22-2)18(23-3)9-15(11)24-14/h4-9,19H,1-3H3 | |
| Standard InChI Key: | YPSSIDWEZCIQGA-UHFFFAOYSA-N | |
| SMILES: | COc1cc2oc(cc(=O)c2cc1OC)c1ccc(c(c1)OC)O | |
Molecular propeties
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| AlogP: | 3.19 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 328.09 | |
| Topological polar surface area: | 74.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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