(-)-Isosclerone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL482610 | |
| PubChem: | 44576009 | |
| IUPAC: | (4R)-4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one | |
| Standard InChI: | InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2/t7-/m1/s1 | |
| Standard InChI Key: | ZXYYTDCENDYKBR-SSDOTTSWSA-N | |
| SMILES: | O[C@@H]1CCC(=O)c2c1cccc2O | |
Molecular propeties
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| AlogP: | 1.4 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 178.06 | |
| Topological polar surface area: | 57.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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