[6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Internal ID | afd90893-2352-4159-a4a7-276f0da12e52 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-8-O-glycosides |
IUPAC Name | [6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)OC6C(C(C(CO6)O)O)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)OC6C(C(C(CO6)O)O)O)O)O)O |
InChI | InChI=1S/C36H36O19/c1-49-24-8-14(2-5-17(24)38)3-7-26(44)50-13-25-29(46)30(47)34(55-35-31(48)28(45)22(43)12-51-35)36(53-25)54-32-21(42)10-19(40)27-20(41)11-23(52-33(27)32)15-4-6-16(37)18(39)9-15/h2-11,22,25,28-31,34-40,42-43,45-48H,12-13H2,1H3 |
InChI Key | SWJWADJRDWMJQJ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C36H36O19 |
Molecular Weight | 772.70 g/mol |
Exact Mass | 772.18507891 g/mol |
Topological Polar Surface Area (TPSA) | 301.00 Ų |
XlogP | 0.30 |
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 | 99.84% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.67% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.32% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.52% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.77% | 96.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.23% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.98% | 96.09% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.59% | 95.17% |
CHEMBL3194 | P02766 | Transthyretin | 92.21% | 90.71% |
CHEMBL2581 | P07339 | Cathepsin D | 91.25% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.95% | 97.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.35% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.30% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.68% | 99.17% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.44% | 94.00% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.01% | 95.50% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.93% | 90.71% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.71% | 99.15% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.45% | 97.28% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.62% | 96.77% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.48% | 94.73% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.03% | 89.62% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.25% | 95.89% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.76% | 94.33% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.29% | 86.92% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.12% | 90.00% |
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.
Setaria italica |
PubChem | 162941049 |
LOTUS | LTS0041087 |
wikiData | Q105262721 |