Tributyl (E)-Aconitate
| Internal ID | 8981eeaf-60b5-45e9-ab95-39eaa26ef63e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | tributyl (E)-prop-1-ene-1,2,3-tricarboxylate |
| SMILES (Canonical) | CCCCOC(=O)CC(=CC(=O)OCCCC)C(=O)OCCCC |
| SMILES (Isomeric) | CCCCOC(=O)C/C(=C\C(=O)OCCCC)/C(=O)OCCCC |
| InChI | InChI=1S/C18H30O6/c1-4-7-10-22-16(19)13-15(18(21)24-12-9-6-3)14-17(20)23-11-8-5-2/h13H,4-12,14H2,1-3H3/b15-13+ |
| InChI Key | BANLNYYTSYHBAP-FYWRMAATSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H30O6 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 3.80 |
| Tributyl (E)-Aconitate |
| SCHEMBL15488072 |
| Tributyl (E)-Propene-1,2,3-tricarboxylate (Tributyl (E)-Aconitate) |
| NSC3922 |
| DTXSID001016725 |
| NSC-3922 |
| Tributyl (1E)-1-propene-1,2,3-tricarboxylate |
| 1-Propene-1,3-tricarboxylic acid, tributyl ester |
| 1,2,3-PROPENETRICARBOXYLIC ACID TRIBUTYL ESTER |
| Q63391980 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 95.54% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.28% | 99.17% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 92.53% | 98.59% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.22% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.89% | 89.34% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.73% | 97.29% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.75% | 94.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.59% | 95.93% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.77% | 80.78% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 80.71% | 95.93% |
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.
| Seriphidium baldshuanicum |
| PubChem | 6538445 |
| LOTUS | LTS0190377 |
| wikiData | Q63391980 |