Delta9-Tetrahydrocannabinolic Acid A
Representations & DB's id
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| ChEBI: | CHEBI:67078 | |
|---|---|---|
| ChEMBL: | CHEMBL465718 | |
| PubChem: | 98523 | |
| IUPAC: | (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid | |
| Standard InChI: | InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1 | |
| Standard InChI Key: | UCONUSSAWGCZMV-HZPDHXFCSA-N | |
| SMILES: | CCCCCc1cc2OC(C)(C)[C@H]3[C@H](c2c(c1C(=O)O)O)C=C(CC3)C | |
Molecular propeties
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| AlogP: | 5.43 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 358.21 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.591 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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