Rel-Oxyphyllanene E
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1949798 | |
| PubChem: | 57400339 | |
| IUPAC: | (2R,4aR,7S,8aR)-4a-methyl-8-methylidene-2-prop-1-en-2-yl-3,4,5,6,7,8a-hexahydro-1H-naphthalene-2,7-diol | |
| Standard InChI: | InChI=1S/C15H24O2/c1-10(2)15(17)8-7-14(4)6-5-13(16)11(3)12(14)9-15/h12-13,16-17H,1,3,5-9H2,2,4H3/t12-,13-,14+,15+/m0/s1 | |
| Standard InChI Key: | HMYKTCAHZPOVHL-BYNSBNAKSA-N | |
| SMILES: | C=C1[C@@H](O)CC[C@]2([C@H]1C[C@](O)(CC2)C(=C)C)C | |
Molecular propeties
| ||
| AlogP: | 2.81 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 236.18 | |
| Topological polar surface area: | 40.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.733 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|