(1R,2S,6S,13R,14S,21S)-7,19,23-triazahexacyclo[9.9.1.11,13.12,6.07,21.014,19]tricos-11-ene
| Internal ID | a29d5d40-1bfa-4a4c-ae02-8be9180bc334 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Aloperine and related alkaloids > Ormosia-type alkaloids |
| IUPAC Name | (1R,2S,6S,13R,14S,21S)-7,19,23-triazahexacyclo[9.9.1.11,13.12,6.07,21.014,19]tricos-11-ene |
| SMILES (Canonical) | C1CCN2CC34CC(C2C1)C=C5C3N(CCC5)C6CCCC4N6 |
| SMILES (Isomeric) | C1CCN2C[C@@]34C[C@@H]([C@@H]2C1)C=C5[C@@H]3N(CCC5)[C@H]6CCC[C@@H]4N6 |
| InChI | InChI=1S/C20H31N3/c1-2-9-22-13-20-12-15(16(22)6-1)11-14-5-4-10-23(19(14)20)18-8-3-7-17(20)21-18/h11,15-19,21H,1-10,12-13H2/t15-,16-,17-,18-,19-,20+/m0/s1 |
| InChI Key | KNWAHXHMMOLUAW-RPZLJYRGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H31N3 |
| Molecular Weight | 313.50 g/mol |
| Exact Mass | 313.251798002 g/mol |
| Topological Polar Surface Area (TPSA) | 18.50 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (1R,2S,6S,13R,14S,21S)-7,19,23-triazahexacyclo[9.9.1.11,13.12,6.07,21.014,19]tricos-11-ene](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s6s13r14s21s-71923-triazahexacyclo9911113126072101419tricos-11-ene.jpg "2D Structure of (1R,2S,6S,13R,14S,21S)-7,19,23-triazahexacyclo[9.9.1.11,13.12,6.07,21.014,19]tricos-11-ene")
| 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 | 96.20% | 97.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.32% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.90% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.68% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.17% | 96.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 91.09% | 94.78% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 90.28% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.04% | 95.56% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 86.86% | 91.76% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.91% | 92.94% |
| CHEMBL238 | Q01959 | Dopamine transporter | 85.55% | 95.88% |
| CHEMBL1938212 | Q9UPP1 | Histone lysine demethylase PHF8 | 85.43% | 98.33% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.39% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.69% | 93.03% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.64% | 90.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.32% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.58% | 95.89% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.37% | 98.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.30% | 82.69% |
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.
| Ormosia jamaicensis |
| PubChem | 162969533 |
| LOTUS | LTS0190002 |
| wikiData | Q105143619 |