5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Internal ID | 2197e835-a5dd-4210-8958-a90cfefc7262 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)O |
SMILES (Isomeric) | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)O |
InChI | InChI=1S/C22H22O11/c1-30-11-6-12(25)15-13(7-11)31-20(9-2-4-10(24)5-3-9)21(17(15)27)33-22-19(29)18(28)16(26)14(8-23)32-22/h2-7,14,16,18-19,22-26,28-29H,8H2,1H3 |
InChI Key | ULVBHEFDGPIWAT-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H22O11 |
Molecular Weight | 462.40 g/mol |
Exact Mass | 462.11621151 g/mol |
Topological Polar Surface Area (TPSA) | 175.00 Ų |
XlogP | 1.00 |
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 | 99.20% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.69% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 96.47% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.15% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.95% | 89.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.51% | 99.15% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.40% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.82% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.72% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.34% | 95.56% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 89.21% | 95.64% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.57% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.15% | 86.33% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.73% | 86.92% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.14% | 97.09% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.09% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.49% | 90.00% |
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.
Glaucidium palmatum |
Oxytropis racemosa |
Wikstroemia canescens |
PubChem | 14704549 |
LOTUS | LTS0203338 |
wikiData | Q105275366 |