(12R,13S,27S,29S)-1,16-diazatetracyclo[25.3.1.112,16.013,29]dotriaconta-8,23-diene
| Internal ID | 73be44f1-d8f4-4ea3-8389-d2533807996f |
| Taxonomy | Organoheterocyclic compounds > Piperidines |
| IUPAC Name | (12R,13S,27S,29S)-1,16-diazatetracyclo[25.3.1.112,16.013,29]dotriaconta-8,23-diene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H52N2/c1-3-7-11-15-20-31-22-19-30-28(25-31)18-14-10-6-2-4-8-12-16-21-32-24-27(17-13-9-5-1)23-29(30)26-32/h5-6,9-10,27-30H,1-4,7-8,11-26H2/t27-,28-,29+,30-/m0/s1 |
| InChI Key | MEZYUJANHMJTGP-ZXYZSCNASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H52N2 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.413049667 g/mol |
| Topological Polar Surface Area (TPSA) | 6.50 Ų |
| XlogP | 8.20 |
| There are no found synonyms. |
![2D Structure of (12R,13S,27S,29S)-1,16-diazatetracyclo[25.3.1.112,16.013,29]dotriaconta-8,23-diene](https://plantaedb.com/storage/docs/compounds/2023/11/12r13s27s29s-116-diazatetracyclo25311121601329dotriaconta-823-diene.jpg "2D Structure of (12R,13S,27S,29S)-1,16-diazatetracyclo[25.3.1.112,16.013,29]dotriaconta-8,23-diene")
| 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 |
|---|---|---|---|---|
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 94.74% | 97.98% |
| CHEMBL238 | Q01959 | Dopamine transporter | 94.63% | 95.88% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.49% | 96.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 93.25% | 94.78% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.67% | 97.25% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 91.59% | 99.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.07% | 97.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 86.83% | 96.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.72% | 95.89% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 86.66% | 88.42% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.77% | 85.14% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.44% | 95.58% |
| CHEMBL240 | Q12809 | HERG | 84.35% | 89.76% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 83.84% | 96.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.79% | 98.95% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.83% | 97.64% |
| CHEMBL2094108 | P49354 | Protein farnesyltransferase | 82.24% | 97.92% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.58% | 94.66% |
| CHEMBL228 | P31645 | Serotonin transporter | 81.41% | 95.51% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 80.55% | 98.57% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.10% | 92.94% |
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.
| There are no matching plants. |
| PubChem | 163003985 |
| LOTUS | LTS0126564 |
| wikiData | Q105162509 |