3,4-Dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexene-1-carboxylic acid
| Internal ID | ef231b8b-a4fc-4352-b3fe-c1016463a826 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives > Galloyl esters |
| IUPAC Name | 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexene-1-carboxylic acid |
| SMILES (Canonical) | C1C(C(C(C=C1C(=O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O |
| SMILES (Isomeric) | C1C(C(C(C=C1C(=O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O |
| InChI | InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21) |
| InChI Key | NTNQTAISNHFKRA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H14O9 |
| Molecular Weight | 326.25 g/mol |
| Exact Mass | 326.06378202 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | -0.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.33% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 95.46% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.61% | 96.09% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 88.09% | 97.53% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.49% | 98.95% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 87.40% | 83.00% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 86.10% | 95.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.33% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.90% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.15% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.31% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.08% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.97% | 98.75% |
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.
| Arbutus unedo |
| Castanopsis sieboldii |
| Erodium cicutarium |
| Excoecaria kawakamii |
| Mallotus japonicus |
| Pistacia weinmannifolia |
| Quercus mongolica |
| PubChem | 14464351 |
| LOTUS | LTS0156297 |
| wikiData | Q105185540 |