Jomthonic Acid A
| Internal ID | 83ada7c5-2bdd-491a-ad60-bb3322e51d5d |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides |
| IUPAC Name | (2R,3R)-2-methyl-3-[(2S,3R)-2-[[(2E,4E)-4-methylhexa-2,4-dienoyl]amino]-3-phenylbutanoyl]oxybutanoic acid |
| SMILES (Canonical) | CC=C(C)C=CC(=O)NC(C(C)C1=CC=CC=C1)C(=O)OC(C)C(C)C(=O)O |
| SMILES (Isomeric) | C/C=C(\C)/C=C/C(=O)N[C@@H]([C@H](C)C1=CC=CC=C1)C(=O)O[C@H](C)[C@@H](C)C(=O)O |
| InChI | InChI=1S/C22H29NO5/c1-6-14(2)12-13-19(24)23-20(16(4)18-10-8-7-9-11-18)22(27)28-17(5)15(3)21(25)26/h6-13,15-17,20H,1-5H3,(H,23,24)(H,25,26)/b13-12+,14-6+/t15-,16-,17-,20+/m1/s1 |
| InChI Key | VVPVXDHEFAYPAR-ZZSCLJTRSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C22H29NO5 |
| Molecular Weight | 387.50 g/mol |
| Exact Mass | 387.20457303 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 4.40 |
| CHEMBL2047367 |
| 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 | 98.01% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.37% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.05% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.30% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.66% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.81% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.63% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.22% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.85% | 95.50% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 86.76% | 92.97% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.77% | 99.17% |
| CHEMBL5028 | O14672 | ADAM10 | 85.30% | 97.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.56% | 96.09% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.13% | 94.08% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.61% | 94.62% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.12% | 94.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.14% | 98.75% |
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 | 59051357 |
| LOTUS | LTS0093500 |
| wikiData | Q77497549 |