(4Z,12R,14R,18R,19Z,21Z,29R,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,19,21-trien-18-ol
| Internal ID | fde05b35-4875-42fd-baad-189f3de2e878 |
| Taxonomy | Organoheterocyclic compounds > Piperidines |
| IUPAC Name | (4Z,12R,14R,18R,19Z,21Z,29R,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,19,21-trien-18-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H54N2O/c35-31-19-15-11-7-2-1-6-10-14-18-29-25-33-21-16-12-8-4-3-5-9-13-17-28-23-30(32(29)20-22-33)26-34(24-28)27-31/h7-8,11-12,15,19,28-32,35H,1-6,9-10,13-14,16-18,20-27H2/b11-7-,12-8-,19-15-/t28-,29+,30+,31-,32+/m1/s1 |
| InChI Key | ZRPVSFCWSDCKJC-YZLFRUEESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H54N2O |
| Molecular Weight | 482.80 g/mol |
| Exact Mass | 482.423614350 g/mol |
| Topological Polar Surface Area (TPSA) | 26.70 Ų |
| XlogP | 8.60 |
| There are no found synonyms. |
![2D Structure of (4Z,12R,14R,18R,19Z,21Z,29R,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,19,21-trien-18-ol](https://plantaedb.com/storage/docs/compounds/2023/11/c8af8290-8644-11ee-b75b-3764ca0a3ea4.jpg "2D Structure of (4Z,12R,14R,18R,19Z,21Z,29R,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,19,21-trien-18-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL238 | Q01959 | Dopamine transporter | 97.22% | 95.88% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.79% | 96.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 92.34% | 94.78% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.40% | 98.95% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 87.99% | 96.25% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.70% | 94.62% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 87.54% | 95.52% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.28% | 94.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.99% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.95% | 95.89% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 86.53% | 94.23% |
| CHEMBL3023 | Q9NRA0 | Sphingosine kinase 2 | 85.14% | 95.61% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 84.06% | 97.98% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 83.19% | 98.57% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.17% | 92.62% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 82.72% | 98.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.29% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.76% | 100.00% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 81.64% | 98.46% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.15% | 95.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.04% | 92.94% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 81.01% | 96.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.96% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.94% | 93.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.49% | 99.18% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 80.40% | 96.11% |
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 | 163004829 |
| LOTUS | LTS0206944 |
| wikiData | Q105382164 |