Xanthomicrol
Representations & DB's id
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| ChEBI: | CHEBI:35047 | |
|---|---|---|
| ChEMBL: | CHEMBL476121 | |
| PubChem: | 73207 | |
| IUPAC: | 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3 | |
| Standard InChI Key: | SAMBWAJRKKEEOR-UHFFFAOYSA-N | |
| SMILES: | COc1c(OC)c(OC)c(c2c1oc(cc2=O)c1ccc(cc1)O)O | |
Molecular propeties
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| AlogP: | 2.9 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 344.09 | |
| Topological polar surface area: | 94.4 | |
| 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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