Angustifoline
| Internal ID | 115deea6-168f-4de2-9045-296055c45509 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines > Quinolizidinones |
| IUPAC Name | 10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one |
| SMILES (Canonical) | C=CCC1C2CC(CN1)C3CCCC(=O)N3C2 |
| SMILES (Isomeric) | C=CCC1C2CC(CN1)C3CCCC(=O)N3C2 |
| InChI | InChI=1S/C14H22N2O/c1-2-4-12-11-7-10(8-15-12)13-5-3-6-14(17)16(13)9-11/h2,10-13,15H,1,3-9H2 |
| InChI Key | VTIPIBIDDZPDAV-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H22N2O |
| Molecular Weight | 234.34 g/mol |
| Exact Mass | 234.173213330 g/mol |
| Topological Polar Surface Area (TPSA) | 32.30 Ų |
| XlogP | 1.40 |
| 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, decahydro-4-(2-propenyl)-, [1S-(1.alpha.,4.alpha.,5.alpha.,11a.alpha.)]- |
| Jamaicensine |
| VTIPIBIDDZPDAV-UHFFFAOYSA-N |
| 10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one |
| 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 |
|---|---|---|---|---|
| CHEMBL228 | P31645 | Serotonin transporter | 95.93% | 95.51% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.91% | 97.25% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 95.76% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.28% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.84% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.31% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.50% | 98.95% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 89.46% | 94.66% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.79% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.74% | 95.56% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 87.66% | 94.55% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.95% | 95.88% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.61% | 93.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.33% | 93.00% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 85.03% | 97.98% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 84.94% | 91.96% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.74% | 95.62% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 84.57% | 91.76% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.26% | 92.88% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.03% | 94.45% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 83.97% | 92.12% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.72% | 94.78% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.49% | 88.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.49% | 90.08% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.48% | 93.40% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.81% | 95.58% |
| 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.
| Dermatophyllum secundiflorum |
| Ormosia jamaicensis |
| PubChem | 521564 |
| LOTUS | LTS0123290 |
| wikiData | Q105292761 |