(1S,9R,10R)-9-butyl-10-propyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-6-amine
| Internal ID | a93d4ca6-0b10-4edb-8283-4876853aedd3 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | (1S,9R,10R)-9-butyl-10-propyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-6-amine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H27N3/c1-3-5-7-13-11(6-4-2)10-12-8-9-14-15(12)16(13)20-17(18)19-14/h11-13H,3-10H2,1-2H3,(H2,18,19,20)/t11-,12+,13-/m1/s1 |
| InChI Key | KBQJFVBWVHNCEC-FRRDWIJNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H27N3 |
| Molecular Weight | 273.40 g/mol |
| Exact Mass | 273.220497874 g/mol |
| Topological Polar Surface Area (TPSA) | 51.80 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (1S,9R,10R)-9-butyl-10-propyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-6-amine](https://plantaedb.com/storage/docs/compounds/2023/11/1s9r10r-9-butyl-10-propyl-57-diazatricyclo6310412dodeca-41257-trien-6-amine.jpg "2D Structure of (1S,9R,10R)-9-butyl-10-propyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-6-amine")
| 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 | 96.82% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.01% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.59% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.68% | 89.63% |
| CHEMBL240 | Q12809 | HERG | 89.70% | 89.76% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 88.24% | 94.55% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.19% | 97.25% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 85.98% | 97.23% |
| CHEMBL3759 | Q9H3N8 | Histamine H4 receptor | 85.62% | 93.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.94% | 100.00% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 83.54% | 95.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.17% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.08% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.98% | 99.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.93% | 95.50% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 82.85% | 98.46% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.93% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.35% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.24% | 94.45% |
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.
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| There are no matching plants. |
| PubChem | 16085292 |
| LOTUS | LTS0227602 |
| wikiData | Q105138472 |