4-Hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroindene-1-carboxylic acid
| Internal ID | 5a2ecb1c-e424-45aa-bcaf-e82407efd08d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
| IUPAC Name | 4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroindene-1-carboxylic acid |
| SMILES (Canonical) | CC(C)C1CCC(C2C1C(CC2)C(=O)O)(C)O |
| SMILES (Isomeric) | CC(C)C1CCC(C2C1C(CC2)C(=O)O)(C)O |
| InChI | InChI=1S/C14H24O3/c1-8(2)9-6-7-14(3,17)11-5-4-10(12(9)11)13(15)16/h8-12,17H,4-7H2,1-3H3,(H,15,16) |
| InChI Key | OZQBIBCVAYBUAR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H24O3 |
| Molecular Weight | 240.34 g/mol |
| Exact Mass | 240.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
| 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 | 96.13% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.78% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.99% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.95% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.77% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.80% | 94.45% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 84.40% | 95.71% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.74% | 93.04% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.30% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.23% | 96.47% |
| CHEMBL4072 | P07858 | Cathepsin B | 83.11% | 93.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.79% | 100.00% |
| CHEMBL268 | P43235 | Cathepsin K | 81.54% | 96.85% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.19% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.17% | 97.09% |
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.
| Artemisia annua |
| PubChem | 73802317 |
| LOTUS | LTS0130204 |
| wikiData | Q105204028 |