(+)-Dioxosarcoguaiacol
Representations & DB's id
| ||
| ChEBI: | CHEBI:68147 | |
|---|---|---|
| ChEMBL: | CHEMBL1814551 | |
| PubChem: | 53344582 | |
| IUPAC: | (3aS,5R,8R)-1,1,5,8-tetramethyl-5,6,7,8-tetrahydro-4H-azuleno[6,5-c]dioxol-3a-ol | |
| Standard InChI: | InChI=1S/C15H22O3/c1-9-5-6-11-10(2)8-15(16)13(7-12(9)11)14(3,4)17-18-15/h7,9-10,16H,5-6,8H2,1-4H3/t9-,10-,15+/m1/s1 | |
| Standard InChI Key: | WXNXTCLYINNSQL-FCHSOHFDSA-N | |
| SMILES: | C[C@@H]1C[C@]2(O)OOC(C2=CC2=C1CC[C@H]2C)(C)C | |
Molecular propeties
| ||
| AlogP: | 3.11 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 250.16 | |
| Topological polar surface area: | 38.7 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.733 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|