[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
Internal ID | d2ce1c78-1601-453b-be18-64a55624896c |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid 3-O-p-coumaroyl glycosides |
IUPAC Name | [6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O |
InChI | InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2 |
InChI Key | DVGGLGXQSFURLP-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C30H26O13 |
Molecular Weight | 594.50 g/mol |
Exact Mass | 594.13734088 g/mol |
Topological Polar Surface Area (TPSA) | 213.00 Ų |
XlogP | 2.50 |
22153-44-2 |
FT-0775452 |
FT-0776716 |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
CHEMBL2326 | P43166 | Carbonic anhydrase VII |
4.6 nM |
Ki |
via Super-PRED
|
CHEMBL3242 | O43570 | Carbonic anhydrase XII |
134.3 nM |
Ki |
via Super-PRED
|
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.33% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.44% | 89.00% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 97.93% | 95.64% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.67% | 86.33% |
CHEMBL3194 | P02766 | Transthyretin | 96.26% | 90.71% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.54% | 91.49% |
CHEMBL2581 | P07339 | Cathepsin D | 93.02% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.76% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.43% | 94.73% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.85% | 96.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.91% | 94.45% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.95% | 95.78% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.57% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.33% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.33% | 97.09% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.57% | 90.71% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.48% | 99.15% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.36% | 95.50% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.76% | 96.12% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.34% | 94.00% |
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.
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PubChem | 57369598 |
LOTUS | LTS0145952 |
wikiData | Q104990049 |