Teuhetenone A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1949795 | |
| PubChem: | 15153216 | |
| IUPAC: | (4aS,8S)-8-hydroxy-4a,8-dimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one | |
| Standard InChI: | InChI=1S/C12H18O2/c1-11-5-3-6-12(2,14)10(11)8-9(13)4-7-11/h8,14H,3-7H2,1-2H3/t11-,12-/m0/s1 | |
| Standard InChI Key: | NGTFVDVHOJMAJY-RYUDHWBXSA-N | |
| SMILES: | O=C1CC[C@]2(C(=C1)[C@@](C)(O)CCC2)C | |
Molecular propeties
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| AlogP: | 2.22 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 194.13 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.75 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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