(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-4,6,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-ene-8,9-diol
| Internal ID | c6f9f304-56bb-4072-b6fd-51d555184c92 |
| Taxonomy | Organoheterocyclic compounds > Azepines |
| IUPAC Name | (1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-4,6,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-ene-8,9-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H37NO7/c1-28-11-21-7-6-15(30-3)23-13-8-12-14(29-2)9-22(26,16(13)17(12)31-4)24(27,20(23)25-10-21)19(32-5)18(21)23/h10,12-20,26-27H,6-9,11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18-,19+,20+,21+,22-,23+,24-/m1/s1 |
| InChI Key | LEBLQSVMMMFXRC-FCXNFKKQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H37NO7 |
| Molecular Weight | 451.60 g/mol |
| Exact Mass | 451.25700252 g/mol |
| Topological Polar Surface Area (TPSA) | 99.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of (1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-4,6,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-ene-8,9-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5013c3a0-85b1-11ee-a11a-3fcbd3842f57.jpg "2D Structure of (1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-4,6,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-ene-8,9-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.78% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.72% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.08% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.90% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.84% | 94.45% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 88.19% | 97.28% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.67% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.38% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.13% | 92.94% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.94% | 97.53% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.89% | 95.89% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 83.68% | 98.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.52% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.00% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.91% | 92.62% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.27% | 95.38% |
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 | 162991503 |
| LOTUS | LTS0182783 |
| wikiData | Q105150486 |