(6E)-3,5-Dihydroxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)-6-heptenoic acid
| Internal ID | 65cf7f9e-6b5d-466c-abe0-98bcc27db8d9 |
| Taxonomy | Organic acids and derivatives > Hydroxy acids and derivatives > Medium-chain hydroxy acids and derivatives |
| IUPAC Name | (E)-3,5-dihydroxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid |
| SMILES (Canonical) | CC1=NC(=CS1)C=C(C)C(CC(C(C)C(=O)O)O)O |
| SMILES (Isomeric) | CC1=NC(=CS1)/C=C(\C)/C(CC(C(C)C(=O)O)O)O |
| InChI | InChI=1S/C13H19NO4S/c1-7(4-10-6-19-9(3)14-10)11(15)5-12(16)8(2)13(17)18/h4,6,8,11-12,15-16H,5H2,1-3H3,(H,17,18)/b7-4+ |
| InChI Key | DGVOKXGUGFTLRK-QPJJXVBHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H19NO4S |
| Molecular Weight | 285.36 g/mol |
| Exact Mass | 285.10347926 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 1.60 |
| CHEBI:199363 |
| (E)-3,5-dihydroxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.92% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.78% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.77% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.22% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.96% | 95.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.24% | 90.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.82% | 99.17% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.52% | 87.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.22% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.01% | 93.56% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.68% | 81.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.20% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.03% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.77% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.30% | 99.23% |
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 | 11044333 |
| LOTUS | LTS0217129 |
| wikiData | Q75065440 |