3,4,5-Tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid
| Internal ID | c830a075-fc4f-40eb-9ae8-c424980d38c8 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | 3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid |
| SMILES (Canonical) | C1C(C(C(C=C1C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| SMILES (Isomeric) | C1C(C(C(C=C1C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| InChI | InChI=1S/C28H22O17/c29-13-1-10(2-14(30)21(13)35)26(40)43-19-7-9(25(38)39)8-20(44-27(41)11-3-15(31)22(36)16(32)4-11)24(19)45-28(42)12-5-17(33)23(37)18(34)6-12/h1-7,19-20,24,29-37H,8H2,(H,38,39) |
| InChI Key | KRGJABLVIDOYEE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H22O17 |
| Molecular Weight | 630.50 g/mol |
| Exact Mass | 630.08569923 g/mol |
| Topological Polar Surface Area (TPSA) | 298.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 3,4,5-Tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/345-tris345-trihydroxybenzoyloxycyclohexene-1-carboxylic-acid.jpg "2D Structure of 3,4,5-Tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic 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 | 94.62% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.31% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 92.42% | 90.71% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 90.55% | 83.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.85% | 94.42% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.50% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.41% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.08% | 86.33% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 85.99% | 97.53% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.42% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.20% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.58% | 95.89% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 81.16% | 95.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.99% | 99.17% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.91% | 90.24% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.09% | 95.62% |
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.
| Terminalia chebula |
| PubChem | 14653357 |
| LOTUS | LTS0127482 |
| wikiData | Q105144977 |