Oxyphyllanene D
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1949797 | |
| PubChem: | 57396910 | |
| IUPAC: | (1aS,4aS,7S,8aS)-7-hydroxy-1a,4a-dimethyl-7-prop-1-en-2-yl-4,5,6,8-tetrahydro-3H-naphtho[1,8a-b]oxiren-2-one | |
| Standard InChI: | InChI=1S/C15H22O3/c1-10(2)14(17)8-7-12(3)6-5-11(16)13(4)15(12,9-14)18-13/h17H,1,5-9H2,2-4H3/t12-,13-,14+,15+/m1/s1 | |
| Standard InChI Key: | DBHHTOBDSZOWSJ-KBXIAJHMSA-N | |
| SMILES: | CC(=C)[C@]1(O)CC[C@@]2([C@]3(C1)O[C@]3(C)C(=O)CC2)C | |
Molecular propeties
| ||
| AlogP: | 2.37 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 250.16 | |
| Topological polar surface area: | 49.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|