(+)-Isomalbrancheamide C
| Internal ID | 1c708b68-2765-433f-8d3b-ee5cfa12ccbe |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Pyrroloquinolines |
| IUPAC Name | (1S,13S,15S)-6-bromo-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4(9),5,7-tetraen-22-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H24BrN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-8-12(22)4-5-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1 |
| InChI Key | NPJZWUULBVDKRA-DQLDELGASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H24BrN3O |
| Molecular Weight | 414.30 g/mol |
| Exact Mass | 413.11027 g/mol |
| Topological Polar Surface Area (TPSA) | 48.10 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.31% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.26% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.50% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.56% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.06% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.81% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.70% | 92.94% |
| CHEMBL240 | Q12809 | HERG | 95.18% | 89.76% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.46% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.27% | 97.09% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 93.07% | 95.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 91.88% | 93.04% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.72% | 97.25% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 89.55% | 90.71% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 89.47% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.31% | 89.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 89.28% | 90.24% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.72% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.10% | 85.14% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.56% | 88.56% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 86.35% | 85.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.35% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.00% | 94.00% |
| CHEMBL5443 | O00311 | Cell division cycle 7-related protein kinase | 85.56% | 96.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.48% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.87% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.62% | 93.03% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.34% | 89.62% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 83.17% | 98.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.20% | 94.78% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.09% | 100.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.88% | 96.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.72% | 98.59% |
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 | 53468726 |
| LOTUS | LTS0179524 |
| wikiData | Q75062343 |