[4,5-Dihydroxy-6-(hydroxymethyl)-2-[5-hydroxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl]oxyoxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Internal ID | 0b9b4806-d10b-4e2a-8618-750e20351c05 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [4,5-dihydroxy-6-(hydroxymethyl)-2-[5-hydroxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl]oxyoxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=C(C4=O)OC5C(C(C(C(O5)CO)O)O)O)C6=CC=C(C=C6)OC7C(C(C(C(O7)CO)O)O)O)O)CO)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=C(C4=O)OC5C(C(C(C(O5)CO)O)O)O)C6=CC=C(C=C6)OC7C(C(C(C(O7)CO)O)O)O)O)CO)O)O)O |
InChI | InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)47)3-9-27(49)66-40-35(56)31(52)26(15-46)65-43(40)61-19-11-21(48)28-23(12-19)62-38(39(32(28)53)67-42-37(58)34(55)30(51)25(14-45)64-42)17-4-6-18(7-5-17)60-41-36(57)33(54)29(50)24(13-44)63-41/h2-12,24-26,29-31,33-37,40-48,50-52,54-58H,13-15H2,1H3 |
InChI Key | SJOFKYITWVGVEV-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C43H48O24 |
Molecular Weight | 948.80 g/mol |
Exact Mass | 948.25355239 g/mol |
Topological Polar Surface Area (TPSA) | 380.00 Ų |
XlogP | -0.60 |
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 | 99.76% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.27% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.55% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.95% | 96.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.72% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.24% | 99.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.15% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.36% | 85.14% |
CHEMBL3194 | P02766 | Transthyretin | 93.18% | 90.71% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.00% | 97.09% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 92.39% | 91.49% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.08% | 99.15% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.36% | 94.00% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.66% | 95.50% |
CHEMBL2581 | P07339 | Cathepsin D | 90.43% | 98.95% |
CHEMBL4208 | P20618 | Proteasome component C5 | 88.14% | 90.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.07% | 94.45% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.93% | 86.92% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.79% | 94.73% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.90% | 80.78% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.74% | 95.64% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.33% | 95.78% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.94% | 97.28% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.33% | 92.62% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.76% | 96.21% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.48% | 94.33% |
CHEMBL1907 | P15144 | Aminopeptidase N | 80.29% | 93.31% |
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.
Allium tuberosum |
PubChem | 73813181 |
LOTUS | LTS0065855 |
wikiData | Q105254450 |