[6-[2-[5,8-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Internal ID | 45d4a591-19a5-4a7c-b9b2-87c2aa995c1f |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [6-[2-[5,8-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
SMILES (Canonical) | CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(C4=C(C(=C3)O)C(=O)C=C(O4)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
SMILES (Isomeric) | CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(C4=C(C(=C3)O)C(=O)C=C(O4)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
InChI | InChI=1S/C29H32O17/c1-10(31)41-9-18-21(36)23(38)25(40)28(45-18)46-27-24(39)20(35)17(8-30)44-29(27)43-16-7-14(34)19-13(33)6-15(42-26(19)22(16)37)11-2-4-12(32)5-3-11/h2-7,17-18,20-21,23-25,27-30,32,34-40H,8-9H2,1H3 |
InChI Key | WINFSIMEBFWGGD-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H32O17 |
Molecular Weight | 652.60 g/mol |
Exact Mass | 652.16394955 g/mol |
Topological Polar Surface Area (TPSA) | 272.00 Ų |
XlogP | -1.10 |
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 | 99.25% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.20% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 97.16% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.68% | 94.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.40% | 85.14% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 94.77% | 91.49% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.42% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.82% | 99.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.23% | 94.45% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.75% | 94.73% |
CHEMBL3194 | P02766 | Transthyretin | 89.60% | 90.71% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.29% | 96.21% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.91% | 95.64% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.82% | 95.78% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.21% | 99.15% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.88% | 96.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.47% | 95.89% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.08% | 86.92% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.90% | 92.50% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.33% | 97.28% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.03% | 97.21% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.71% | 95.89% |
CHEMBL220 | P22303 | Acetylcholinesterase | 81.70% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.20% | 95.56% |
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.
Sideritis brevibracteata |
Sideritis hyssopifolia |
Sideritis lanata |
Sideritis pungens |
Sideritis trojana |
Stachys anisochila |
Stachys byzantina |
Stachys recta |
Veronica thymoides |
PubChem | 73802680 |
LOTUS | LTS0098821 |
wikiData | Q104667754 |