2-Hydroxy-5,12,13-trimethyltetracyclo[11.1.1.01,10.04,9]pentadecane-5-carboxylic acid
| Internal ID | bab20bd0-1d25-4a73-8d72-21264dfbfb32 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives |
| IUPAC Name | 2-hydroxy-5,12,13-trimethyltetracyclo[11.1.1.01,10.04,9]pentadecane-5-carboxylic acid |
| SMILES (Canonical) | CC1CC2C3CCCC(C3CC(C24CC1(C4)C)O)(C)C(=O)O |
| SMILES (Isomeric) | CC1CC2C3CCCC(C3CC(C24CC1(C4)C)O)(C)C(=O)O |
| InChI | InChI=1S/C19H30O3/c1-11-7-14-12-5-4-6-18(3,16(21)22)13(12)8-15(20)19(14)9-17(11,2)10-19/h11-15,20H,4-10H2,1-3H3,(H,21,22) |
| InChI Key | NSKQGIAIXMEWPX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H30O3 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 2-Hydroxy-5,12,13-trimethyltetracyclo[11.1.1.01,10.04,9]pentadecane-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-51213-trimethyltetracyclo11110110049pentadecane-5-carboxylic-acid.jpg "2D Structure of 2-Hydroxy-5,12,13-trimethyltetracyclo[11.1.1.01,10.04,9]pentadecane-5-carboxylic acid")
| 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 | 94.91% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.24% | 97.25% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.84% | 98.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.07% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.48% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.23% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.85% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.72% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.50% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.85% | 99.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.76% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.36% | 91.19% |
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.
| Helianthus argophyllus |
| PubChem | 162996741 |
| LOTUS | LTS0211653 |
| wikiData | Q105185104 |