[6-[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Internal ID | 6b87e0da-a51f-49aa-b8b7-cd294a241ddd |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | [6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
SMILES (Canonical) | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O |
InChI | InChI=1S/C29H26O16/c1-41-17-6-10(2-3-13(17)31)26-27(23(37)20-14(32)7-12(30)8-18(20)43-26)45-29-25(39)24(38)22(36)19(44-29)9-42-28(40)11-4-15(33)21(35)16(34)5-11/h2-8,19,22,24-25,29-36,38-39H,9H2,1H3 |
InChI Key | AXNDDQYIYNIUAJ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H26O16 |
Molecular Weight | 630.50 g/mol |
Exact Mass | 630.12208474 g/mol |
Topological Polar Surface Area (TPSA) | 262.00 Ų |
XlogP | 1.30 |
There are no found synonyms. |
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 | 99.19% | 91.11% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 97.79% | 95.64% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.00% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.51% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.11% | 86.33% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.49% | 95.17% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.13% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.96% | 96.09% |
CHEMBL3194 | P02766 | Transthyretin | 94.12% | 90.71% |
CHEMBL220 | P22303 | Acetylcholinesterase | 93.68% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 91.38% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.83% | 94.73% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.06% | 90.71% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.62% | 95.78% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.02% | 94.33% |
CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 84.81% | 98.21% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.66% | 90.00% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.60% | 83.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.45% | 99.15% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.44% | 94.42% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.22% | 85.14% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.02% | 95.50% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.36% | 92.62% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.35% | 96.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.86% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.65% | 95.56% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.98% | 99.23% |
CHEMBL2424 | Q04760 | Glyoxalase I | 80.32% | 91.67% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 80.27% | 91.49% |
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.
Quercus cerris |
PubChem | 14162289 |
LOTUS | LTS0209246 |
wikiData | Q104920656 |