Tetrahydrorhombifoline
| Internal ID | 18a02b37-3153-43be-8754-88514a3b37ca |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines > Quinolizidinones |
| IUPAC Name | (1S,2R,9R)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one |
| SMILES (Canonical) | C=CCCN1CC2CC(C1)C3CCCC(=O)N3C2 |
| SMILES (Isomeric) | C=CCCN1C[C@H]2C[C@@H](C1)[C@H]3CCCC(=O)N3C2 |
| InChI | InChI=1S/C15H24N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,12-14H,1,3-11H2/t12-,13+,14-/m1/s1 |
| InChI Key | OKTIETCHYDTVGN-HZSPNIEDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H24N2O |
| Molecular Weight | 248.36 g/mol |
| Exact Mass | 248.188863393 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 1.80 |
| 3382-84-1 |
| 1,5-Methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one, 3-(3-butenyl)decahydro-, (1S-(1alpha,5alpha,11aalpha))- |
| tetrahydrorombifoline |
| CHEMBL460224 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.44% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.71% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.31% | 98.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 92.87% | 97.05% |
| CHEMBL240 | Q12809 | HERG | 92.86% | 89.76% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 92.48% | 94.66% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.30% | 93.40% |
| CHEMBL228 | P31645 | Serotonin transporter | 89.99% | 95.51% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.07% | 95.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.03% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.66% | 95.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.32% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.03% | 97.09% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.71% | 95.88% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 86.37% | 91.76% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 86.33% | 97.98% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.33% | 94.75% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 86.24% | 92.38% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.22% | 94.78% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.00% | 91.49% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.74% | 90.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.31% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.54% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.87% | 92.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.09% | 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.
| PubChem | 15511175 |
| LOTUS | LTS0204154 |
| wikiData | Q104253253 |