7-Epi-Teucrenone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1949801 | |
| PubChem: | 57393409 | |
| IUPAC: | (4aS,6S,8aR)-6-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-4a,5,7,8-tetrahydro-1H-naphthalen-2-one | |
| Standard InChI: | InChI=1S/C15H22O2/c1-10(2)15(17)6-5-14(4)8-12(16)7-11(3)13(14)9-15/h7,13,17H,1,5-6,8-9H2,2-4H3/t13-,14-,15+/m1/s1 | |
| Standard InChI Key: | SAJFRLDIWQUNCQ-KFWWJZLASA-N | |
| SMILES: | O=C1C=C(C)[C@@H]2[C@](C1)(C)CC[C@@](C2)(O)C(=C)C | |
Molecular propeties
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| AlogP: | 3.02 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 234.16 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.667 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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