Vignatic acid B
| Internal ID | 4ec82be3-c65c-418f-92d3-cc2458704744 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 4-[(2-hydroxy-4-methylpentanoyl)amino]-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid |
| SMILES (Canonical) | CC(C)CC1C(=O)NC(CC2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC(C)C)O)C(C)C)C(=O)O |
| SMILES (Isomeric) | CC(C)CC1C(=O)NC(CC2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC(C)C)O)C(C)C)C(=O)O |
| InChI | InChI=1S/C27H41N3O7/c1-14(2)11-19-24(32)29-20(27(35)36)13-17-7-9-18(10-8-17)37-23(16(5)6)22(26(34)28-19)30-25(33)21(31)12-15(3)4/h7-10,14-16,19-23,31H,11-13H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36) |
| InChI Key | OPWAZQSWJQLOAK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H41N3O7 |
| Molecular Weight | 519.60 g/mol |
| Exact Mass | 519.29445066 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 3.80 |
| CHEBI:172729 |
| 4-[(2-hydroxy-4-methylpentanoyl)amino]-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid |
| 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 | 98.44% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.83% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.57% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.66% | 85.14% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 90.94% | 85.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.77% | 93.56% |
| CHEMBL3837 | P07711 | Cathepsin L | 89.45% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.25% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.73% | 97.25% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 87.82% | 83.10% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.81% | 92.29% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.16% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.58% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.52% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.51% | 94.45% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.34% | 89.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.89% | 90.71% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 84.62% | 97.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.88% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.72% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.60% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.04% | 99.23% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.03% | 90.93% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.87% | 95.56% |
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.
| Vigna radiata |
| PubChem | 85261327 |
| LOTUS | LTS0068061 |
| wikiData | Q105196594 |