Tectorigenin
Representations & DB's id
| ||
| ChEBI: | CHEBI:9429 | |
|---|---|---|
| ChEMBL: | CHEMBL242740 | |
| PubChem: | 5281811 | |
| IUPAC: | 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one | |
| Standard InChI: | InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3 | |
| Standard InChI Key: | OBBCRPUNCUPUOS-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O | |
Molecular propeties
| ||
| AlogP: | 2.59 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 300.06 | |
| Topological polar surface area: | 96.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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