[6-[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Internal ID | 48f3d5e5-bdfe-4c23-8f85-a1574072f772 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid 3-O-p-coumaroyl 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-hydroxy-3-methoxyphenyl)prop-2-enoate |
SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O |
InChI | InChI=1S/C32H30O15/c1-42-20-9-14(3-6-17(20)34)4-8-24(37)44-13-23-26(38)28(40)29(41)32(46-23)47-31-27(39)25-19(36)11-16(33)12-22(25)45-30(31)15-5-7-18(35)21(10-15)43-2/h3-12,23,26,28-29,32-36,38,40-41H,13H2,1-2H3 |
InChI Key | ZMFSDFSWZVXOBB-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C32H30O15 |
Molecular Weight | 654.60 g/mol |
Exact Mass | 654.15847025 g/mol |
Topological Polar Surface Area (TPSA) | 231.00 Ų |
XlogP | 2.40 |
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 | 99.31% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.68% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.37% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.79% | 96.09% |
CHEMBL3194 | P02766 | Transthyretin | 95.46% | 90.71% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.29% | 96.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.09% | 99.17% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 93.18% | 91.49% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 92.30% | 95.64% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.93% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 91.39% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.69% | 94.73% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.89% | 95.50% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.95% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.80% | 94.45% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.53% | 94.00% |
CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 85.84% | 98.21% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.04% | 89.62% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.56% | 95.78% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.28% | 99.15% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.03% | 90.00% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.86% | 80.78% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.84% | 90.71% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.94% | 94.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.82% | 97.09% |
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.
Sarcopyramis bodinieri |
PubChem | 162990405 |
LOTUS | LTS0106642 |
wikiData | Q105379440 |