Cinnabaramide E
| Internal ID | aac2f2f4-3574-439a-82fd-c43e4eb126ee |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (2R,3S,4R)-2-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-4-hexyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H31NO5/c1-3-4-5-9-12-14-16(22)20-19(17(23)24,18(14,2)25)15(21)13-10-7-6-8-11-13/h7,10,13-15,21,25H,3-6,8-9,11-12H2,1-2H3,(H,20,22)(H,23,24)/t13-,14+,15+,18+,19+/m1/s1 |
| InChI Key | ADDRECXFKLYOGC-MUAMBBPCSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C19H31NO5 |
| Molecular Weight | 353.50 g/mol |
| Exact Mass | 353.22022309 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.10 |
| CHEMBL374026 |
| SCHEMBL1065816 |
| BDBM50476093 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL3831201 | P49721 | 20S proteasome |
136 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.84% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.76% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.11% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.33% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.08% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.61% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.01% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.40% | 90.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.07% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.38% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.41% | 97.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.68% | 95.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.42% | 92.88% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.20% | 97.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.10% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.63% | 92.86% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.56% | 90.71% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.08% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.85% | 99.23% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.49% | 95.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.82% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.04% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.66% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.61% | 90.17% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.32% | 97.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 16109814 |
| LOTUS | LTS0134110 |
| wikiData | Q104909504 |