(2-Methyl-5-octa-1,3-dienyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl) 2-hydroxyacetate
| Internal ID | 964f1b85-2987-493f-9487-52ac1fa07cbc |
| Taxonomy | Organoheterocyclic compounds > Quinolidines |
| IUPAC Name | (2-methyl-5-octa-1,3-dienyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl) 2-hydroxyacetate |
| SMILES (Canonical) | CCCCC=CC=CC1CCCC2C1CC(C(N2)C)OC(=O)CO |
| SMILES (Isomeric) | CCCCC=CC=CC1CCCC2C1CC(C(N2)C)OC(=O)CO |
| InChI | InChI=1S/C20H33NO3/c1-3-4-5-6-7-8-10-16-11-9-12-18-17(16)13-19(15(2)21-18)24-20(23)14-22/h6-8,10,15-19,21-22H,3-5,9,11-14H2,1-2H3 |
| InChI Key | LKGPEPDNXJHRDO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H33NO3 |
| Molecular Weight | 335.50 g/mol |
| Exact Mass | 335.24604391 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 4.30 |
| 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 | 97.53% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.53% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.51% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.30% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.22% | 98.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.78% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.24% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.79% | 91.19% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.41% | 91.81% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.13% | 93.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.03% | 95.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.51% | 92.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.84% | 94.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.69% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.94% | 96.47% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.93% | 92.88% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.75% | 95.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.50% | 91.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.37% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.26% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.13% | 92.94% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.00% | 95.36% |
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.
| There are no matching plants. |
| PubChem | 74052229 |
| LOTUS | LTS0059049 |
| wikiData | Q104403726 |