[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
Internal ID | 959a6267-e6bf-4ce6-a0c0-01c134cad99c |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | [6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate |
SMILES (Canonical) | CC(C)(C1CCC(=CC1)C(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O |
SMILES (Isomeric) | CC(C)(C1CCC(=CC1)C(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O |
InChI | InChI=1S/C31H34O13/c1-31(2,40)16-7-3-15(4-8-16)29(39)41-13-21-23(35)25(37)26(38)30(43-21)44-28-24(36)22-19(34)11-18(33)12-20(22)42-27(28)14-5-9-17(32)10-6-14/h3,5-6,9-12,16,21,23,25-26,30,32-35,37-38,40H,4,7-8,13H2,1-2H3 |
InChI Key | XJYKKSWBSUUWAV-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C31H34O13 |
Molecular Weight | 614.60 g/mol |
Exact Mass | 614.19994113 g/mol |
Topological Polar Surface Area (TPSA) | 213.00 Ų |
XlogP | 2.10 |
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 | 99.45% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.93% | 98.95% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 97.84% | 95.64% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.50% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.09% | 96.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 95.00% | 94.73% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.56% | 94.00% |
CHEMBL220 | P22303 | Acetylcholinesterase | 93.03% | 94.45% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 91.99% | 95.78% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.77% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.83% | 99.17% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.73% | 97.09% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.08% | 92.50% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 87.02% | 91.49% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.97% | 95.89% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.09% | 95.89% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.74% | 93.65% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.28% | 99.15% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.53% | 95.56% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.40% | 90.71% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.09% | 94.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.90% | 94.45% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.90% | 100.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.67% | 99.23% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.59% | 90.93% |
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.
Eucalyptus cypellocarpa |
Eucalyptus resinifera |
PubChem | 162849266 |
LOTUS | LTS0242993 |
wikiData | Q105329330 |