Oxyphyllenodiol A
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL304564 | |
| PubChem: | 10082923 | |
| IUPAC: | (4S,5S,6R)-5,6-dihydroxy-6-methyl-4-propan-2-yl-2,3,4,5,7,8-hexahydronaphthalen-1-one | |
| Standard InChI: | InChI=1S/C14H22O3/c1-8(2)9-4-5-11(15)10-6-7-14(3,17)13(16)12(9)10/h8-9,13,16-17H,4-7H2,1-3H3/t9-,13-,14+/m0/s1 | |
| Standard InChI Key: | SZSSWPDHIZIMCT-QCZZGDTMSA-N | |
| SMILES: | CC([C@@H]1CCC(=O)C2=C1[C@H](O)[C@](CC2)(C)O)C | |
Molecular propeties
| ||
| AlogP: | 1.82 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 238.16 | |
| Topological polar surface area: | 57.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.857 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|