(1R,9R,10R)-7,14-diazatetracyclo[7.6.1.02,7.010,14]hexadeca-2,4-dien-6-one
| Internal ID | b1f70fbe-e13a-4578-8781-9c03a1dd866b |
| Taxonomy | Organoheterocyclic compounds > Indolizidines |
| IUPAC Name | (1R,9R,10R)-7,14-diazatetracyclo[7.6.1.02,7.010,14]hexadeca-2,4-dien-6-one |
| SMILES (Canonical) | C1CC2C3CC(CN2C1)C4=CC=CC(=O)N4C3 |
| SMILES (Isomeric) | C1C[C@@H]2[C@@H]3C[C@H](CN2C1)C4=CC=CC(=O)N4C3 |
| InChI | InChI=1S/C14H18N2O/c17-14-5-1-3-13-10-7-11(9-16(13)14)12-4-2-6-15(12)8-10/h1,3,5,10-12H,2,4,6-9H2/t10-,11-,12-/m1/s1 |
| InChI Key | BQLVLWNCTINETI-IJLUTSLNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H18N2O |
| Molecular Weight | 230.31 g/mol |
| Exact Mass | 230.141913202 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of (1R,9R,10R)-7,14-diazatetracyclo[7.6.1.02,7.010,14]hexadeca-2,4-dien-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r9r10r-714-diazatetracyclo76102701014hexadeca-24-dien-6-one.jpg "2D Structure of (1R,9R,10R)-7,14-diazatetracyclo[7.6.1.02,7.010,14]hexadeca-2,4-dien-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.41% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.10% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.85% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.33% | 93.99% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.29% | 93.03% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.53% | 93.40% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 87.51% | 97.98% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.41% | 99.18% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.96% | 95.88% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 86.49% | 96.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.26% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.48% | 99.23% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 84.01% | 91.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.81% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.48% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.96% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.09% | 93.04% |
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.
| Camoensia scandens |
| Daphniphyllum pentandrum |
| Melolobium wilmsii |
| Polhillia involucrata |
| PubChem | 6352153 |
| LOTUS | LTS0178850 |
| wikiData | Q104944422 |