6-[[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Internal ID | 8e980151-ab28-42e0-aabb-8d2e7c6694cd |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-7-O-glucuronides |
IUPAC Name | 6-[[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
SMILES (Canonical) | C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O)C4=CC(=C(C=C4)O)O |
SMILES (Isomeric) | C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O)C4=CC(=C(C=C4)O)O |
InChI | InChI=1S/C21H20O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-5,13,16-19,21-24,26-28H,6H2,(H,29,30) |
InChI Key | YSORAXGDTRAEMV-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H20O12 |
Molecular Weight | 464.40 g/mol |
Exact Mass | 464.09547607 g/mol |
Topological Polar Surface Area (TPSA) | 203.00 Ų |
XlogP | 0.50 |
LMPK12140368 |
![2D Structure of 6-[[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 2D Structure of 6-[[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/bb521ea0-86c6-11ee-844a-a7811c4b3ff8.jpg)
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 | 99.48% | 91.11% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.46% | 99.15% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.12% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.04% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.60% | 94.45% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 91.44% | 91.49% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.24% | 97.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.93% | 99.23% |
CHEMBL3194 | P02766 | Transthyretin | 89.43% | 90.71% |
CHEMBL4208 | P20618 | Proteasome component C5 | 89.14% | 90.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.94% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 88.35% | 98.95% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.43% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.87% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.62% | 99.17% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.21% | 90.71% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.70% | 94.73% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.27% | 95.78% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.00% | 83.00% |
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.
Centaurea urvillei |
Chrysanthemum indicum |
Garcinia prainiana |
PubChem | 3262723 |
LOTUS | LTS0121078 |
wikiData | Q105360369 |