Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside
Internal ID | 04dc4bb2-592e-4478-b63f-4eb6f2811cfd |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxyoxan-2-yl]methyl (E)-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(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)C6C(C(C(C(O6)CO)O)O)O)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)/C=C/C(=O)OCC2[C@H]([C@@H](C([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)[C@H]6C([C@H]([C@@H](C(O6)CO)O)O)O)O)O)O)O |
InChI | InChI=1S/C37H38O18/c1-50-21-10-15(2-8-18(21)40)3-9-26(42)51-14-25-30(44)33(47)35(49)37(55-25)54-23-12-22-27(19(41)11-20(52-22)16-4-6-17(39)7-5-16)31(45)28(23)36-34(48)32(46)29(43)24(13-38)53-36/h2-12,24-25,29-30,32-40,43-49H,13-14H2,1H3/b9-3+/t24?,25?,29-,30-,32+,33+,34?,35?,36+,37-/m1/s1 |
InChI Key | QPRAHMMZLWQOGS-XGGFGAQLSA-N |
Popularity | 0 references in papers |
Molecular Formula | C37H38O18 |
Molecular Weight | 770.70 g/mol |
Exact Mass | 770.20581436 g/mol |
Topological Polar Surface Area (TPSA) | 292.00 Ų |
XlogP | 0.10 |
Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside |
CHEBI:173149 |
LMPK12110328 |
[(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
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 | 99.85% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.10% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.35% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 96.45% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.94% | 85.14% |
CHEMBL3194 | P02766 | Transthyretin | 94.69% | 90.71% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.71% | 96.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.57% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.39% | 94.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 91.26% | 91.49% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.14% | 96.21% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.03% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.90% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.66% | 97.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.19% | 99.15% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.22% | 86.92% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.03% | 94.73% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.70% | 95.50% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.83% | 89.62% |
CHEMBL220 | P22303 | Acetylcholinesterase | 83.59% | 94.45% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.53% | 91.71% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.33% | 94.45% |
CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 82.14% | 97.03% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.70% | 95.89% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.77% | 95.78% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.60% | 90.71% |
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.
Hordeum vulgare |
PubChem | 44257784 |
LOTUS | LTS0090089 |
wikiData | Q105225539 |