Beilschmiedic Acid C
| Internal ID | 6ac5af30-11fe-4951-a0c6-a1a56166cc86 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | (1S,2S,3R,6R,9S,10R,11S,12S)-9-hydroxy-2-octyltetracyclo[8.2.1.03,12.06,11]trideca-4,7-diene-7-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-13-14-9-10-15-17(22(24)25)12-19(23)18-11-16(13)20(14)21(15)18/h9-10,12-16,18-21,23H,2-8,11H2,1H3,(H,24,25)/t13-,14-,15+,16+,18+,19-,20-,21+/m1/s1 |
| InChI Key | SBFRUSBMDXTFNO-UCKPTORISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H32O3 |
| Molecular Weight | 344.50 g/mol |
| Exact Mass | 344.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 5.50 |
| CHEMBL2071414 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.96% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.64% | 89.63% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.99% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.83% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.43% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.84% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.05% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.90% | 96.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.24% | 85.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.81% | 91.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.74% | 93.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.68% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.19% | 92.08% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.80% | 98.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.70% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.26% | 100.00% |
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.
| Beilschmiedia anacardioides |
| PubChem | 42646924 |
| LOTUS | LTS0206672 |
| wikiData | Q105249388 |