2-(6-Hydroxyoctylidene)-3-methylidenebutanedioic acid
| Internal ID | 84182c1f-3d3f-4e2b-9a68-02ed7b9771f9 |
| Taxonomy | Organic acids and derivatives > Hydroxy acids and derivatives > Medium-chain hydroxy acids and derivatives |
| IUPAC Name | 2-(6-hydroxyoctylidene)-3-methylidenebutanedioic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H20O5/c1-3-10(14)7-5-4-6-8-11(13(17)18)9(2)12(15)16/h8,10,14H,2-7H2,1H3,(H,15,16)(H,17,18) |
| InChI Key | NSVBQXZBZSCZMM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H20O5 |
| Molecular Weight | 256.29 g/mol |
| Exact Mass | 256.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
| 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 | 94.04% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.88% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.73% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.10% | 90.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.09% | 96.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.49% | 98.75% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 85.94% | 97.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.11% | 96.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.23% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.61% | 90.71% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.53% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.50% | 93.56% |
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.
| There are no matching plants. |
| PubChem | 163066097 |
| LOTUS | LTS0224463 |
| wikiData | Q104179980 |