[6-[2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
Internal ID | f0b28aa0-f9a5-4b9b-a630-7d2d9638f923 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides |
IUPAC Name | [6-[2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-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)OC3C(C(C(OC3C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC(=C(C=C6)O)O)O)CO)O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC(=C(C=C6)O)O)O)CO)O)O)O)O)O)O |
InChI | InChI=1S/C36H36O18/c37-12-23-28(44)32(48)35(54-36-33(49)31(47)29(45)24(53-36)13-50-25(43)8-3-14-1-5-16(38)6-2-14)34(52-23)27-20(42)11-22-26(30(27)46)19(41)10-21(51-22)15-4-7-17(39)18(40)9-15/h1-11,23-24,28-29,31-40,42,44-49H,12-13H2 |
InChI Key | MWRFISCXYNYBKS-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C36H36O18 |
Molecular Weight | 756.70 g/mol |
Exact Mass | 756.19016430 g/mol |
Topological Polar Surface Area (TPSA) | 303.00 Ų |
XlogP | 0.00 |
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 | 99.88% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.66% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.25% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.89% | 86.33% |
CHEMBL3194 | P02766 | Transthyretin | 95.76% | 90.71% |
CHEMBL2581 | P07339 | Cathepsin D | 94.69% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.69% | 97.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.54% | 99.15% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.42% | 95.56% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.54% | 91.71% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.08% | 86.92% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.23% | 96.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.84% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.33% | 94.73% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 85.62% | 83.57% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.61% | 85.14% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.41% | 80.78% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.26% | 94.45% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.50% | 83.00% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.21% | 95.50% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.58% | 95.78% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.66% | 95.83% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 80.51% | 95.93% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.49% | 92.50% |
CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 80.02% | 88.00% |
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.
Oryza sativa |
PubChem | 145994457 |
LOTUS | LTS0145163 |
wikiData | Q105173743 |