Herbacetin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL611029 | |
| PubChem: | 5280544 | |
| IUPAC: | 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H | |
| Standard InChI Key: | ZDOTZEDNGNPOEW-UHFFFAOYSA-N | |
| SMILES: | Oc1ccc(cc1)c1oc2c(O)c(O)cc(c2c(=O)c1O)O | |
Molecular propeties
| ||
| AlogP: | 1.99 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 302.04 | |
| Topological polar surface area: | 127 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|