Haemodorone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL551732 | |
| PubChem: | 44179579 | |
| IUPAC: | 7-hydroxy-8-methoxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione | |
| Standard InChI: | InChI=1S/C19H12O5/c1-23-17-14(20)9-13-15-12(18(21)24-19(13)22)8-7-11(16(15)17)10-5-3-2-4-6-10/h2-9,20H,1H3 | |
| Standard InChI Key: | GVBJAQUCCACYEW-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)cc2c3c1c(ccc3C(=O)OC2=O)c1ccccc1 | |
Molecular propeties
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| AlogP: | 3.53 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 320.07 | |
| Topological polar surface area: | 72.8 | |
| 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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