(1R,8S,9R,10S)-9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),6-dien-6-amine
| Internal ID | d5536ca1-f20b-465b-9e94-973c032ed96f |
| Taxonomy | Organoheterocyclic compounds > Diazines > Pyrimidines and pyrimidine derivatives > Hydropyrimidines |
| IUPAC Name | (1R,8S,9R,10S)-9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),6-dien-6-amine |
| SMILES (Canonical) | CCCCC1C(CC2CCC3=C2C1N=C(N3)N)C |
| SMILES (Isomeric) | CCCC[C@@H]1[C@H](C[C@H]2CCC3=C2[C@H]1N=C(N3)N)C |
| InChI | InChI=1S/C15H25N3/c1-3-4-5-11-9(2)8-10-6-7-12-13(10)14(11)18-15(16)17-12/h9-11,14H,3-8H2,1-2H3,(H3,16,17,18)/t9-,10+,11+,14-/m0/s1 |
| InChI Key | BOOHKNSPXWBALG-OXIWPEFWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H25N3 |
| Molecular Weight | 247.38 g/mol |
| Exact Mass | 247.204847810 g/mol |
| Topological Polar Surface Area (TPSA) | 50.40 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of (1R,8S,9R,10S)-9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),6-dien-6-amine](https://plantaedb.com/storage/docs/compounds/2023/11/1r8s9r10s-9-butyl-10-methyl-57-diazatricyclo6310412dodeca-4126-dien-6-amine.jpg "2D Structure of (1R,8S,9R,10S)-9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),6-dien-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 | 97.85% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.72% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.46% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.69% | 97.25% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 91.04% | 97.23% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.36% | 95.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.32% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.07% | 91.11% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 87.75% | 90.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.67% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.79% | 100.00% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 83.81% | 88.84% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 83.08% | 90.71% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.64% | 95.38% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.42% | 94.66% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.02% | 98.95% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.78% | 98.59% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.41% | 93.56% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.06% | 90.24% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.51% | 90.08% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 80.29% | 95.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.03% | 95.89% |
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.
| Echinacea angustifolia |
| Echinacea pallida |
| Echinacea purpurea |
| PubChem | 162867785 |
| LOTUS | LTS0166350 |
| wikiData | Q104998652 |