Hemigossypol
Representations & DB's id
| ||
| ChEBI: | CHEBI:5654 | |
|---|---|---|
| ChEMBL: | CHEMBL2271696 | |
| PubChem: | 115300 | |
| IUPAC: | 2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde | |
| Standard InChI: | InChI=1S/C15H16O4/c1-7(2)12-9-4-8(3)5-11(17)13(9)10(6-16)14(18)15(12)19/h4-7,17-19H,1-3H3 | |
| Standard InChI Key: | WWHRTLINNBKCGL-UHFFFAOYSA-N | |
| SMILES: | O=Cc1c(O)c(O)c(c2c1c(O)cc(c2)C)C(C)C | |
Molecular propeties
| ||
| AlogP: | 3.2 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 2 | |
| Molecular Weight: | 260.1 | |
| Topological polar surface area: | 77.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.267 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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