Cannabigerolic Acid
Representations & DB's id
| ||
| ChEBI: | CHEBI:67081 | |
|---|---|---|
| ChEMBL: | CHEMBL463843 | |
| PubChem: | 6449999 | |
| IUPAC: | 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentylbenzoic acid | |
| Standard InChI: | InChI=1S/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/b16-12+ | |
| Standard InChI Key: | SEEZIOZEUUMJME-FOWTUZBSSA-N | |
| SMILES: | CCCCCc1cc(O)c(c(c1C(=O)O)O)C/C=C(/CCC=C(C)C)C | |
Molecular propeties
| ||
| AlogP: | 5.76 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 10 | |
| Number of rings: | 1 | |
| Molecular Weight: | 360.23 | |
| Topological polar surface area: | 77.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|