Spirotryprostatin K
| Internal ID | b587833b-b564-4cd8-9cc3-e4367e1b5316 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3S,8aS)-3-[[(3S)-6-hydroxy-3-(3-methylbut-2-enyl)-2-oxo-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| SMILES (Canonical) | CC(=CCC1(C2=C(C=C(C=C2)O)NC1=O)CC3C(=O)N4CCCC4C(=O)N3)C |
| SMILES (Isomeric) | CC(=CC[C@@]1(C2=C(C=C(C=C2)O)NC1=O)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3)C |
| InChI | InChI=1S/C21H25N3O4/c1-12(2)7-8-21(14-6-5-13(25)10-15(14)23-20(21)28)11-16-19(27)24-9-3-4-17(24)18(26)22-16/h5-7,10,16-17,25H,3-4,8-9,11H2,1-2H3,(H,22,26)(H,23,28)/t16-,17-,21-/m0/s1 |
| InChI Key | VKKSVIBSKZGZJM-FIKGOQFSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H25N3O4 |
| Molecular Weight | 383.40 g/mol |
| Exact Mass | 383.18450629 g/mol |
| Topological Polar Surface Area (TPSA) | 98.70 Ų |
| XlogP | 1.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.97% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.11% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.50% | 94.45% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 97.13% | 97.05% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.76% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.08% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.09% | 96.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.54% | 92.97% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.17% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.37% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 92.27% | 82.38% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.96% | 95.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.94% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.82% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.49% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.58% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.51% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.39% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.56% | 93.03% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.89% | 91.38% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.57% | 91.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.53% | 86.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.28% | 90.08% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.42% | 99.18% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.20% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.08% | 89.00% |
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 | 122379524 |
| LOTUS | LTS0077959 |
| wikiData | Q77521319 |