Jomthonic acid B
| Internal ID | 013b9fa5-6a30-44ca-accb-4b2deb4165c3 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides |
| IUPAC Name | (2R,3R)-3-[(2S,3R)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-phenylbutanoyl]oxy-2-methylbutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H27NO5/c1-5-6-8-13-18(23)22-19(15(3)17-11-9-7-10-12-17)21(26)27-16(4)14(2)20(24)25/h5-16,19H,1-4H3,(H,22,23)(H,24,25)/b6-5+,13-8+/t14-,15-,16-,19+/m1/s1 |
| InChI Key | KNPRAIKHBOCDJD-JSELGJHASA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C21H27NO5 |
| Molecular Weight | 373.40 g/mol |
| Exact Mass | 373.18892296 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 3.70 |
| RefChem:923971 |
| (2R,3R)-3-((2S,3R)-2-(((2E,4E)-hexa-2,4-dienoyl)amino)-3-phenylbutanoyl)oxy-2-methylbutanoic 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.71% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.92% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.12% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.96% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.24% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.10% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.06% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.93% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.73% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.86% | 94.73% |
| CHEMBL5028 | O14672 | ADAM10 | 84.56% | 97.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.96% | 96.09% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 83.93% | 94.23% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.88% | 100.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.53% | 94.08% |
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 | 101885532 |
| LOTUS | LTS0197037 |
| wikiData | Q105143515 |