(1S,7R,9R,15S,21R,23S,29R,30S)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione
| Internal ID | 78e0666a-4602-4200-a789-f55ff952e3ca |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | (1S,7R,9R,15S,21R,23S,29R,30S)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione |
| SMILES (Canonical) | CC1CN2CCCC3C2C(C1=O)CCCCCC4CCCN5C4C(CCCCC3)C(=O)C(C5)C |
| SMILES (Isomeric) | C[C@@H]1CN2CCC[C@H]3[C@H]2[C@H](C1=O)CCCCC[C@H]4CCCN5[C@H]4[C@@H](CCCCC3)C(=O)[C@H](C5)C |
| InChI | InChI=1S/C30H50N2O2/c1-21-19-31-17-9-13-23-11-6-4-8-16-26-28-24(14-10-18-32(28)20-22(2)30(26)34)12-5-3-7-15-25(27(23)31)29(21)33/h21-28H,3-20H2,1-2H3/t21-,22+,23-,24-,25+,26+,27+,28-/m0/s1 |
| InChI Key | OCNVVYBTRKWBCO-QHVVJTBISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50N2O2 |
| Molecular Weight | 470.70 g/mol |
| Exact Mass | 470.38722884 g/mol |
| Topological Polar Surface Area (TPSA) | 40.60 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of (1S,7R,9R,15S,21R,23S,29R,30S)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione](https://plantaedb.com/storage/docs/compounds/2023/11/9f3632c0-8607-11ee-85cb-d5ecb36bc755.jpg "2D Structure of (1S,7R,9R,15S,21R,23S,29R,30S)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione")
| 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 | 97.06% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.98% | 98.95% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 92.38% | 94.78% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 90.33% | 99.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.79% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.05% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.64% | 97.09% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 86.59% | 95.27% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.43% | 83.82% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.49% | 92.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.37% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.46% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.57% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.21% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.67% | 92.94% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.24% | 99.18% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.96% | 98.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.42% | 82.69% |
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 | 102317422 |
| LOTUS | LTS0215947 |
| wikiData | Q105189476 |