Tournefolic Acid A
| Internal ID | cedb2bc6-02b9-4ed7-a779-f083dbd1193d |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H12O6/c18-12-4-2-10(7-14(12)20)15-8-11-9(3-6-16(21)22)1-5-13(19)17(11)23-15/h1-8,18-20H,(H,21,22)/b6-3+ |
| InChI Key | KSKIGSUQYGWNAK-ZZXKWVIFSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C17H12O6 |
| Molecular Weight | 312.27 g/mol |
| Exact Mass | 312.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 111.00 Ų |
| XlogP | 2.90 |
| CHEMBL465836 |
| SCHEMBL19236087 |
| BDBM50468301 |
| (e)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-benzofuran-4-yl]acrylic acid |
| (E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.94% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.97% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 94.67% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.01% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.10% | 91.49% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 90.72% | 98.11% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.29% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.90% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.51% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.51% | 96.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 84.76% | 98.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.61% | 99.17% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.43% | 85.30% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.52% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.35% | 98.95% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 81.29% | 89.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.96% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.00% | 95.50% |
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.
| Heliotropium sarmentosum |
| PubChem | 10403222 |
| LOTUS | LTS0100549 |
| wikiData | Q105145461 |