Acerosin
Representations & DB's id
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| ChEBI: | CHEBI:2382 | |
|---|---|---|
| ChEMBL: | CHEMBL3314497 | |
| PubChem: | 177696 | |
| IUPAC: | 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)12-7-10(20)13-14(21)17(24-2)15(22)18(25-3)16(13)26-12/h4-7,19,21-22H,1-3H3 | |
| Standard InChI Key: | BTMNGQCCCWTUQH-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1O)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)O | |
Molecular propeties
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| AlogP: | 2.6 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 360.08 | |
| Topological polar surface area: | 115 | |
| 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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