5-Hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
Internal ID | 0a87cd10-c22e-4abd-9628-95bb44a4a31b |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one |
SMILES (Canonical) | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
InChI | InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2 |
InChI Key | XFFQVRFGLSBFON-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H30O16 |
Molecular Weight | 610.50 g/mol |
Exact Mass | 610.15338487 g/mol |
Topological Polar Surface Area (TPSA) | 266.00 Ų |
XlogP | -1.10 |
FT-0778279 |
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 | 99.24% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 95.43% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.25% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.08% | 94.00% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 93.50% | 95.64% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.67% | 99.15% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.92% | 94.73% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.61% | 86.92% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 89.60% | 91.49% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.99% | 97.09% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.37% | 95.78% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.90% | 94.45% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.80% | 99.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.53% | 86.33% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.72% | 85.14% |
CHEMBL3194 | P02766 | Transthyretin | 84.93% | 90.71% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.53% | 96.09% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 83.72% | 98.35% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.90% | 95.56% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.57% | 96.21% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.49% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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PubChem | 13647408 |
LOTUS | LTS0033278 |
wikiData | Q105327000 |