variecolorin A
| Internal ID | 6bc0c326-7407-4c7c-87d0-9318a92625e8 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3Z,6S)-3-[[5-[(2R)-3-chloro-2-hydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H30ClN3O3/c1-7-23(3,4)20-16(12-18-22(31)26-13(2)21(30)28-18)15-10-14(8-9-17(15)27-20)11-19(29)24(5,6)25/h7-10,12-13,19,27,29H,1,11H2,2-6H3,(H,26,31)(H,28,30)/b18-12-/t13-,19+/m0/s1 |
| InChI Key | DKFVASQTSIAAEU-RKFKHAPCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H30ClN3O3 |
| Molecular Weight | 444.00 g/mol |
| Exact Mass | 443.1975695 g/mol |
| Topological Polar Surface Area (TPSA) | 94.20 Ų |
| XlogP | 4.20 |
| CHEMBL400169 |
| DTXSID701101424 |
| (3Z,6S)-3-[[5-[(2R)-3-Chloro-2-hydroxy-3-methylbutyl]-2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl]methylene]-6-methyl-2,5-piperazinedione |
| 957780-65-3 |
| 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 | 98.88% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.38% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.84% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.24% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.55% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.60% | 91.49% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 93.53% | 92.88% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.80% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.36% | 89.34% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.74% | 83.57% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.54% | 96.90% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.53% | 91.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.51% | 90.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.63% | 89.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.57% | 90.24% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.30% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.02% | 94.75% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.84% | 96.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.69% | 92.29% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.31% | 85.31% |
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 | 23655345 |
| LOTUS | LTS0072448 |
| wikiData | Q77506284 |