[2-[[6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-methyloxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Internal ID | 09eecc98-d489-42fc-af34-de2f90866ba6 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | [2-[[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-methyloxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)COC6C(C(C(C(O6)C)O)O)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)COC6C(C(C(C(O6)C)O)O)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)O)O)O |
InChI | InChI=1S/C43H48O23/c1-15-29(50)33(54)36(57)41(60-15)66-40-35(56)31(52)26(14-59-42-39(34(55)30(51)16(2)61-42)64-27(49)9-5-17-4-7-21(46)24(10-17)58-3)63-43(40)65-38-32(53)28-23(48)12-19(44)13-25(28)62-37(38)18-6-8-20(45)22(47)11-18/h4-13,15-16,26,29-31,33-36,39-48,50-52,54-57H,14H2,1-3H3 |
InChI Key | XQSMSRSJNXQHLT-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C43H48O23 |
Molecular Weight | 932.80 g/mol |
Exact Mass | 932.25863777 g/mol |
Topological Polar Surface Area (TPSA) | 360.00 Ų |
XlogP | -0.10 |
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 | 99.86% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 99.24% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.96% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.94% | 91.49% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.89% | 96.00% |
CHEMBL3194 | P02766 | Transthyretin | 95.48% | 90.71% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.45% | 96.09% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 94.36% | 80.78% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.29% | 99.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.26% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 92.25% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.04% | 94.73% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 89.54% | 95.64% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 88.78% | 97.36% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.48% | 95.50% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.75% | 90.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.23% | 94.45% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.40% | 99.15% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.01% | 94.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.44% | 85.14% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.40% | 95.78% |
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.
Onobrychis viciifolia |
Vicia amurensis |
PubChem | 73109610 |
LOTUS | LTS0129742 |
wikiData | Q105340013 |