Haemodorol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL562656 | |
| PubChem: | 44179580 | |
| IUPAC: | 7-hydroxy-10-(4-hydroxyphenyl)-8-methoxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione | |
| Standard InChI: | InChI=1S/C19H12O6/c1-24-17-14(21)8-13-15-12(18(22)25-19(13)23)7-6-11(16(15)17)9-2-4-10(20)5-3-9/h2-8,20-21H,1H3 | |
| Standard InChI Key: | RKEVKIMMOMGXDS-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)cc2c3c1c(ccc3C(=O)OC2=O)c1ccc(cc1)O | |
Molecular propeties
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| AlogP: | 3.24 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 336.06 | |
| Topological polar surface area: | 93.1 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.053 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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