2-[5-carboxy-4-[2,3-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonylphenoxy]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid
| Internal ID | 20054605-53bb-467c-ade6-d10d4515f719 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | 2-[5-carboxy-4-[2,3-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonylphenoxy]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H24O20/c28-5-13-17(34)18(35)21(38)27(46-13)47-26(43)6-1-9(29)14(31)11(2-6)44-23-8(25(41)42)4-12(16(33)20(23)37)45-22-7(24(39)40)3-10(30)15(32)19(22)36/h1-4,13,17-18,21,27-38H,5H2,(H,39,40)(H,41,42)/t13-,17-,18+,21-,27-/m1/s1 |
| InChI Key | WHEUOVJKBVNNMT-RDJJNILTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H24O20 |
| Molecular Weight | 668.50 g/mol |
| Exact Mass | 668.08609315 g/mol |
| Topological Polar Surface Area (TPSA) | 351.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of 2-[5-carboxy-4-[2,3-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonylphenoxy]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/f9e6d890-86f8-11ee-89c3-8bf3b24458ad.jpg "2D Structure of 2-[5-carboxy-4-[2,3-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonylphenoxy]-2,3-dihydroxyphenoxy]-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 | 98.11% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.85% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 95.79% | 90.71% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 92.79% | 95.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.61% | 99.15% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 90.19% | 94.42% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.74% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.11% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.69% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.87% | 95.50% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 87.52% | 87.67% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.84% | 83.57% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 86.48% | 83.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.51% | 96.21% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 85.19% | 81.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.91% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.13% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.11% | 94.73% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 82.33% | 93.33% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.37% | 95.78% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.36% | 89.34% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 80.25% | 97.53% |
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.
| Rosa platyacantha |
| PubChem | 102273823 |
| LOTUS | LTS0122260 |
| wikiData | Q105305264 |