2-[5-Carboxy-4-(2-carboxy-4,5-dihydroxyphenyl)-2-hydroxyphenyl]-3,4,5-trihydroxybenzoic acid
| Internal ID | fb95acb1-ca6c-4a85-bbaf-5b34f9a54cdf |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Terphenyls > P-terphenyls |
| IUPAC Name | 2-[5-carboxy-4-(2-carboxy-4,5-dihydroxyphenyl)-2-hydroxyphenyl]-3,4,5-trihydroxybenzoic acid |
| SMILES (Canonical) | C1=C(C(=CC(=C1C(=O)O)C2=CC(=C(C=C2C(=O)O)O)O)O)C3=C(C(=C(C=C3C(=O)O)O)O)O |
| SMILES (Isomeric) | C1=C(C(=CC(=C1C(=O)O)C2=CC(=C(C=C2C(=O)O)O)O)O)C3=C(C(=C(C=C3C(=O)O)O)O)O |
| InChI | InChI=1S/C21H14O12/c22-12-2-6(7-3-13(23)14(24)4-9(7)20(30)31)8(19(28)29)1-10(12)16-11(21(32)33)5-15(25)17(26)18(16)27/h1-5,22-27H,(H,28,29)(H,30,31)(H,32,33) |
| InChI Key | GAGOUOWDSKMVKE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H14O12 |
| Molecular Weight | 458.30 g/mol |
| Exact Mass | 458.04852588 g/mol |
| Topological Polar Surface Area (TPSA) | 233.00 Ų |
| XlogP | 1.60 |
| Q5458161 |
| 2-[5-Carboxy-4-(2-carboxy-4,5-dihydroxyphenyl)-2-hydroxyphenyl]-3,4,5-trihydroxybenzoic acid |
![2D Structure of 2-[5-Carboxy-4-(2-carboxy-4,5-dihydroxyphenyl)-2-hydroxyphenyl]-3,4,5-trihydroxybenzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-5-carboxy-4-2-carboxy-45-dihydroxyphenyl-2-hydroxyphenyl-345-trihydroxybenzoic-acid.jpg "2D Structure of 2-[5-Carboxy-4-(2-carboxy-4,5-dihydroxyphenyl)-2-hydroxyphenyl]-3,4,5-trihydroxybenzoic 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 | 96.51% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 95.39% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.47% | 99.15% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 89.16% | 95.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.33% | 95.56% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 85.99% | 94.42% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.71% | 98.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.31% | 81.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.92% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.82% | 90.00% |
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.
| Combretum indicum |
| Terminalia myriocarpa |
| PubChem | 71308200 |
| LOTUS | LTS0068768 |
| wikiData | Q5458161 |