Chaiyaphumine A
| Internal ID | bf1ba5e0-6e2e-49b1-8d10-329ccc2b92ac |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | N-[(3R,6R,9S,10R,13S,16S)-6-benzyl-13-(1H-indol-3-ylmethyl)-3,10-dimethyl-2,5,8,12,15-pentaoxo-11-oxa-1,4,7,14-tetrazabicyclo[14.3.0]nonadecan-9-yl]-2-phenylacetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H44N6O7/c1-24-39(51)46-19-11-18-33(46)37(49)44-32(22-28-23-41-30-17-10-9-16-29(28)30)40(52)53-25(2)35(45-34(47)21-27-14-7-4-8-15-27)38(50)43-31(36(48)42-24)20-26-12-5-3-6-13-26/h3-10,12-17,23-25,31-33,35,41H,11,18-22H2,1-2H3,(H,42,48)(H,43,50)(H,44,49)(H,45,47)/t24-,25-,31-,32+,33+,35+/m1/s1 |
| InChI Key | YZLRYEXQPAXUDX-WRECJYPKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H44N6O7 |
| Molecular Weight | 720.80 g/mol |
| Exact Mass | 720.32714776 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | 3.90 |
| CHEMBL3235373 |
| 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 | 99.33% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.15% | 85.14% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 97.99% | 97.64% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.54% | 91.11% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 96.01% | 96.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.75% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.23% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.92% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.92% | 99.23% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.39% | 90.08% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 89.83% | 90.71% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.73% | 97.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.24% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.50% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.48% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.99% | 91.49% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 85.35% | 87.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.71% | 95.71% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.73% | 96.25% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 83.13% | 92.12% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 83.09% | 99.52% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.36% | 88.56% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.23% | 95.83% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 86302630 |
| LOTUS | LTS0204939 |
| wikiData | Q75058564 |