(2R,3S,4aR,5R,8aS)-5-(5-hydroxyoctyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ol
| Internal ID | 2f0fb254-18a0-4cbe-86ee-e4f54c4790fc |
| Taxonomy | Organoheterocyclic compounds > Quinolidines |
| IUPAC Name | (2R,3S,4aR,5R,8aS)-5-(5-hydroxyoctyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ol |
| SMILES (Canonical) | CCCC(CCCCC1CCCC2C1CC(C(N2)C)O)O |
| SMILES (Isomeric) | CCCC(CCCC[C@@H]1CCC[C@H]2[C@@H]1C[C@@H]([C@H](N2)C)O)O |
| InChI | InChI=1S/C18H35NO2/c1-3-7-15(20)10-5-4-8-14-9-6-11-17-16(14)12-18(21)13(2)19-17/h13-21H,3-12H2,1-2H3/t13-,14-,15?,16-,17+,18+/m1/s1 |
| InChI Key | LNSIIDDYOVTXHK-WVDLQDBSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H35NO2 |
| Molecular Weight | 297.50 g/mol |
| Exact Mass | 297.266779359 g/mol |
| Topological Polar Surface Area (TPSA) | 52.50 Ų |
| XlogP | 3.80 |
| 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 | 98.86% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.58% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.79% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.54% | 97.09% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 94.12% | 97.23% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.36% | 95.58% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.42% | 97.79% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 89.11% | 95.56% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 88.10% | 95.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.54% | 95.93% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.89% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.34% | 93.56% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.54% | 98.10% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 85.34% | 97.64% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.99% | 92.88% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.98% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.83% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.46% | 83.82% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.31% | 92.94% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 82.80% | 97.63% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 81.71% | 94.55% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.71% | 98.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.63% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.32% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.14% | 90.71% |
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 | 11066430 |
| LOTUS | LTS0094036 |
| wikiData | Q105154470 |