[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Internal ID | db28cc7b-f2c5-4c6a-817e-d93298f8f92d |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=C(C=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O |
InChI | InChI=1S/C30H26O15/c31-14-4-1-12(7-16(14)33)2-6-23(36)42-11-22-26(38)28(40)29(41)30(45-22)44-21-10-20-24(27(39)25(21)37)18(35)9-19(43-20)13-3-5-15(32)17(34)8-13/h1-10,22,26,28-34,37-41H,11H2/b6-2+/t22-,26-,28+,29-,30-/m1/s1 |
InChI Key | UGSXKTPGBJVRGO-UFYYKPKHSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H26O15 |
Molecular Weight | 626.50 g/mol |
Exact Mass | 626.12717012 g/mol |
Topological Polar Surface Area (TPSA) | 253.00 Ų |
XlogP | 1.50 |
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 | 99.77% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.36% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.19% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.28% | 86.33% |
CHEMBL3194 | P02766 | Transthyretin | 96.80% | 90.71% |
CHEMBL2581 | P07339 | Cathepsin D | 94.53% | 98.95% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.47% | 95.64% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.96% | 86.92% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.38% | 99.17% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 89.55% | 80.78% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.45% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.49% | 94.45% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.20% | 90.71% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.93% | 96.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.06% | 99.15% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.05% | 95.78% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.20% | 94.73% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.00% | 95.50% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.64% | 89.34% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.60% | 97.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.58% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.16% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.01% | 94.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.94% | 96.09% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.87% | 96.21% |
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.
Halophila ovalis subsp. ovalis |
Veronica longifolia |
PubChem | 21576580 |
LOTUS | LTS0072501 |
wikiData | Q105272562 |