2-Benzylidenesuccinic acid
| Internal ID | eded90c2-b788-49d1-b099-c36eb8a45a53 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acids |
| IUPAC Name | (2E)-2-benzylidenebutanedioic acid |
| SMILES (Canonical) | C1=CC=C(C=C1)C=C(CC(=O)O)C(=O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)/C=C(\CC(=O)O)/C(=O)O |
| InChI | InChI=1S/C11H10O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13)(H,14,15)/b9-6+ |
| InChI Key | KYILORDWJFEQBS-RMKNXTFCSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C11H10O4 |
| Molecular Weight | 206.19 g/mol |
| Exact Mass | 206.05790880 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 1.30 |
| (E)-2-benzylidenesuccinic acid |
| 5653-88-3 |
| 46427-07-0 |
| (2E)-2-benzylidenebutanedioic acid |
| Butanedioic acid,(phenylmethylene)-,(E)- |
| 2-(PHENYLMETHYLENE)BUTANEDIOIC ACID |
| NSC-10134 |
| (E)-phenylitaconic acid |
| Succinic acid, benzylidene- |
| NSC10134 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.33% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.00% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.88% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.64% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.05% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.77% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.97% | 96.00% |
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.
| Artemisia argyi |
| PubChem | 820629 |
| LOTUS | LTS0103538 |
| wikiData | Q105147735 |