(1R,2S,13R,15S,16R,23S)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane
| Internal ID | b63d7a16-f3dd-4e72-9895-b1c2aa85fe0c |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Aloperine and related alkaloids > Ormosia-type alkaloids |
| IUPAC Name | (1R,2S,13R,15S,16R,23S)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane |
| SMILES (Canonical) | C1CCN2CC34CC(C2C1)CC5C3N(CCC5)CN6C4CCCC6 |
| SMILES (Isomeric) | C1CCN2C[C@@]34C[C@@H]([C@H]2C1)C[C@@H]5[C@@H]3N(CCC5)CN6[C@H]4CCCC6 |
| InChI | InChI=1S/C21H35N3/c1-3-9-22-14-21-13-17(18(22)7-1)12-16-6-5-11-24(20(16)21)15-23-10-4-2-8-19(21)23/h16-20H,1-15H2/t16-,17+,18-,19+,20+,21-/m1/s1 |
| InChI Key | GFDFZTFQPIBNSQ-ZWJPJJENSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H35N3 |
| Molecular Weight | 329.50 g/mol |
| Exact Mass | 329.283098129 g/mol |
| Topological Polar Surface Area (TPSA) | 9.70 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (1R,2S,13R,15S,16R,23S)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s13r15s16r23s-7921-triazahexacyclo11911115027092301621tetracosane.jpg "2D Structure of (1R,2S,13R,15S,16R,23S)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane")
| 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 | 96.59% | 97.25% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 91.92% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.23% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.14% | 95.50% |
| CHEMBL3023 | Q9NRA0 | Sphingosine kinase 2 | 88.04% | 95.61% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.93% | 99.18% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 87.83% | 97.98% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.50% | 95.89% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.81% | 98.10% |
| CHEMBL238 | Q01959 | Dopamine transporter | 85.75% | 95.88% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.67% | 96.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.40% | 94.78% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 85.20% | 99.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.67% | 94.45% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 84.20% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.99% | 90.24% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.37% | 93.40% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.80% | 94.23% |
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.
| Bowdichia virgilioides |
| PubChem | 162972582 |
| LOTUS | LTS0131179 |
| wikiData | Q105260988 |