1H-4-Oxabenzo[f]cyclobut[cd]indene-7-carboxylic acid, 1a,2,3,3a,8b,8c-hexahydro-8-hydroxy-1,1,3a-trimethyl-6-pentyl-; 1a,2,3,3a,8b,8c-Hexahydro-8-hydroxy-1,1,3a-trimethyl-6-pentyl-1H-4-oxabenzo[f]cyclobut[cd]indene-7-carboxylic acid; Cannabicyclolic acid; CBLA
| Internal ID | f9bc7afc-5aec-4c8b-b825-189bdda4e8d4 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives |
| IUPAC Name | 3-hydroxy-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2(7),3,5-triene-4-carboxylic acid |
| SMILES (Canonical) | CCCCCC1=CC2=C(C3C4C(C3(C)C)CCC4(O2)C)C(=C1C(=O)O)O |
| SMILES (Isomeric) | CCCCCC1=CC2=C(C3C4C(C3(C)C)CCC4(O2)C)C(=C1C(=O)O)O |
| InChI | InChI=1S/C22H30O4/c1-5-6-7-8-12-11-14-16(19(23)15(12)20(24)25)18-17-13(21(18,2)3)9-10-22(17,4)26-14/h11,13,17-18,23H,5-10H2,1-4H3,(H,24,25) |
| InChI Key | JVOHLEIRDMVLHS-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H30O4 |
| Molecular Weight | 358.50 g/mol |
| Exact Mass | 358.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 6.10 |
| Cannabicyclolic acid |
| (+/-)-Cannabicyclolic Acid (CRM) |
| 1H-4-Oxabenzo[f]cyclobut[cd]indene-7-carboxylic acid, 1a,2,3,3a,8b,8c-hexahydro-8-hydroxy-1,1,3a-trimethyl-6-pentyl-; 1a,2,3,3a,8b,8c-Hexahydro-8-hydroxy-1,1,3a-trimethyl-6-pentyl-1H-4-oxabenzo[f]cyclobut[cd]indene-7-carboxylic acid; Cannabicyclolic acid; CBLA |
| SCHEMBL16769852 |
| (+/-)-Cannabicyclolic acid (CBLA) |
| BC175208 |
| Cannabicyclolic acid (CBLA) 100 microg/mL in Acetonitrile |
| Cannabicyclolic acid (CBLA) 500 microg/mL in Acetonitrile |
| Cannabicyclolic acid (CBLA) 1000 microg/mL in Acetonitrile |
![2D Structure of 1H-4-Oxabenzo[f]cyclobut[cd]indene-7-carboxylic acid, 1a,2,3,3a,8b,8c-hexahydro-8-hydroxy-1,1,3a-trimethyl-6-pentyl-; 1a,2,3,3a,8b,8c-Hexahydro-8-hydroxy-1,1,3a-trimethyl-6-pentyl-1H-4-oxabenzo[f]cyclobut[cd]indene-7-carboxylic acid; Cannabicyclolic acid; CBLA](https://plantaedb.com/storage/docs/compounds/2023/11/d18efe60-8470-11ee-a221-19048ab81a88.jpg "2D Structure of 1H-4-Oxabenzo[f]cyclobut[cd]indene-7-carboxylic acid, 1a,2,3,3a,8b,8c-hexahydro-8-hydroxy-1,1,3a-trimethyl-6-pentyl-; 1a,2,3,3a,8b,8c-Hexahydro-8-hydroxy-1,1,3a-trimethyl-6-pentyl-1H-4-oxabenzo[f]cyclobut[cd]indene-7-carboxylic acid; Cannabicyclolic acid; CBLA")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.38% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.51% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.50% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.44% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.24% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.75% | 94.45% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.48% | 97.93% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.50% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.20% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.14% | 97.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 84.87% | 96.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.37% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.21% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.57% | 99.17% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 83.56% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.23% | 100.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.10% | 95.34% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.56% | 93.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.01% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.98% | 92.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.78% | 95.56% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.71% | 94.42% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Cannabis sativa |
| PubChem | 71437560 |
| LOTUS | LTS0069970 |
| wikiData | Q104249315 |