4-(2-Carboxyacetyl)oxy-3,5-dihydroxy-6-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
| Internal ID | b46d9553-efe8-4119-9859-4def27a6d5ba |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-7-O-glucuronides |
| IUPAC Name | 4-(2-carboxyacetyl)oxy-3,5-dihydroxy-6-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)OC(=O)CC(=O)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)OC(=O)CC(=O)O)O)O)O |
| InChI | InChI=1S/C25H22O15/c1-36-14-3-2-9(4-11(14)26)15-7-13(28)19-12(27)5-10(6-16(19)38-15)37-25-21(33)22(39-18(31)8-17(29)30)20(32)23(40-25)24(34)35/h2-7,20-23,25-27,32-33H,8H2,1H3,(H,29,30)(H,34,35) |
| InChI Key | IXTLKMFDEMUHOV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H22O15 |
| Molecular Weight | 562.40 g/mol |
| Exact Mass | 562.09586999 g/mol |
| Topological Polar Surface Area (TPSA) | 236.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 4-(2-Carboxyacetyl)oxy-3,5-dihydroxy-6-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/28df4f50-85c4-11ee-bcfd-0fdadc639217.jpg "2D Structure of 4-(2-Carboxyacetyl)oxy-3,5-dihydroxy-6-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-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 | 98.65% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.50% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.20% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.69% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.74% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.41% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.41% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.90% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.82% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.64% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.60% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 90.77% | 90.71% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 88.42% | 81.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.06% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.85% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.62% | 91.19% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.86% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.65% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.62% | 86.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.26% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.70% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.90% | 97.28% |
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.
| Meehania fargesii |
| PubChem | 75150095 |
| LOTUS | LTS0225810 |
| wikiData | Q105122471 |