(1S,2R,5R,6R,14R,16R)-5-[(2S)-4-[(3S,4R)-1,3-dimethylpiperidin-4-yl]butan-2-yl]-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-9,11-dien-14-amine
| Internal ID | 8778c40f-3a7e-487d-b607-fed20955f249 |
| Taxonomy | Organoheterocyclic compounds > Pyrans |
| IUPAC Name | (1S,2R,5R,6R,14R,16R)-5-[(2S)-4-[(3S,4R)-1,3-dimethylpiperidin-4-yl]butan-2-yl]-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-9,11-dien-14-amine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H52N2O/c1-22(7-8-24-14-18-34(6)21-23(24)2)28-11-12-29-30(28,3)15-13-26-19-25-9-10-27(33(4)5)20-31(25)16-17-32(26,29)35-31/h9,19,22-24,27-29H,7-8,10-18,20-21H2,1-6H3/t22-,23+,24+,27+,28+,29+,30+,31+,32+/m0/s1 |
| InChI Key | NHQQBQFKOMCHDG-IINGSRCSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H52N2O |
| Molecular Weight | 480.80 g/mol |
| Exact Mass | 480.407964286 g/mol |
| Topological Polar Surface Area (TPSA) | 15.70 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of (1S,2R,5R,6R,14R,16R)-5-[(2S)-4-[(3S,4R)-1,3-dimethylpiperidin-4-yl]butan-2-yl]-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-9,11-dien-14-amine](https://plantaedb.com/storage/docs/compounds/2023/11/36c6fe70-861c-11ee-956f-dbe98cc74b86.jpg "2D Structure of (1S,2R,5R,6R,14R,16R)-5-[(2S)-4-[(3S,4R)-1,3-dimethylpiperidin-4-yl]butan-2-yl]-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-9,11-dien-14-amine")
| 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 | 98.70% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.69% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.23% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.97% | 95.93% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 93.88% | 98.46% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.01% | 90.08% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 91.78% | 95.34% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.69% | 93.40% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 90.95% | 98.10% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.80% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.75% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.75% | 90.71% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 88.50% | 92.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.23% | 97.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.95% | 97.93% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.23% | 94.78% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.13% | 93.67% |
| CHEMBL234 | P35462 | Dopamine D3 receptor | 85.92% | 90.48% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.80% | 97.14% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.42% | 98.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.20% | 100.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 85.12% | 96.61% |
| CHEMBL2337 | P48067 | Glycine transporter 1 | 83.16% | 95.45% |
| CHEMBL5314 | Q06418 | Tyrosine-protein kinase receptor TYRO3 | 82.17% | 96.00% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 82.13% | 99.17% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 82.00% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.64% | 92.94% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.42% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.36% | 89.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.25% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.02% | 95.56% |
| CHEMBL5493 | O15552 | Free fatty acid receptor 2 | 80.57% | 92.86% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.48% | 95.89% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 80.45% | 95.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.42% | 95.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.31% | 93.56% |
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 | 162988780 |
| LOTUS | LTS0130627 |
| wikiData | Q105179550 |