Oxyphyllanene C
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1949796 | |
| PubChem: | 57335616 | |
| IUPAC: | (1aS,3aS,7bR)-1a-acetyl-3a,7-dimethyl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one | |
| Standard InChI: | InChI=1S/C14H18O3/c1-8-10(16)4-5-13(3)6-7-14(9(2)15)12(17-14)11(8)13/h12H,4-7H2,1-3H3/t12-,13-,14-/m1/s1 | |
| Standard InChI Key: | WEPFDGKIDPCING-MGPQQGTHSA-N | |
| SMILES: | O=C1CC[C@]2(C(=C1C)[C@H]1O[C@]1(CC2)C(=O)C)C | |
Molecular propeties
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| AlogP: | 2.19 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 234.13 | |
| Topological polar surface area: | 46.7 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.714 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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