(13R,16S)-12,12,16-Trimethyl-10,19,22-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4,6,8-tetraen-21-one
| Internal ID | 5896431f-c88f-44d4-aee6-9855084879dd |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (13R,16S)-12,12,16-trimethyl-10,19,22-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4,6,8-tetraen-21-one |
| SMILES (Canonical) | CC1CCN2C13CC4C(C5=C(CC4(C2)C(=O)N3)C6=CC=CC=C6N5)(C)C |
| SMILES (Isomeric) | C[C@H]1CCN2C13C[C@@H]4C(C5=C(CC4(C2)C(=O)N3)C6=CC=CC=C6N5)(C)C |
| InChI | InChI=1S/C22H27N3O/c1-13-8-9-25-12-21-10-15-14-6-4-5-7-16(14)23-18(15)20(2,3)17(21)11-22(13,25)24-19(21)26/h4-7,13,17,23H,8-12H2,1-3H3,(H,24,26)/t13-,17+,21?,22?/m0/s1 |
| InChI Key | IEJLMMJWGODTGM-OHPWTWNFSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C22H27N3O |
| Molecular Weight | 349.50 g/mol |
| Exact Mass | 349.215412493 g/mol |
| Topological Polar Surface Area (TPSA) | 48.10 Ų |
| XlogP | 3.50 |
| DTXSID20933467 |
| (1S,12aR)-1,12,12-Trimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-13a,5a-(azenometheno)indolizino[7,6-b]carbazol-15-ol |
| 1,12,12-Trimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-13a,5a-(azenometheno)indolizino[7,6-b]carbazol-15-ol |
![2D Structure of (13R,16S)-12,12,16-Trimethyl-10,19,22-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4,6,8-tetraen-21-one](https://plantaedb.com/storage/docs/compounds/2023/11/cid-196934.jpg "2D Structure of (13R,16S)-12,12,16-Trimethyl-10,19,22-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4,6,8-tetraen-21-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.23% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.55% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.51% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.62% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 93.50% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.23% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.92% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.81% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.34% | 99.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.43% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.10% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.35% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.85% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.47% | 93.40% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.12% | 93.04% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 82.95% | 95.48% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.57% | 96.25% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.02% | 94.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.48% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.88% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.83% | 90.08% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.63% | 94.75% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.39% | 96.39% |
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.
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| There are no matching plants. |
| PubChem | 196934 |
| LOTUS | LTS0094030 |
| wikiData | Q82909284 |