2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Internal ID | 06ce9e00-b84b-4e49-afd5-c5c192fa27dc |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O)O |
SMILES (Isomeric) | COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O)O |
InChI | InChI=1S/C22H22O13/c1-32-11-5-10-13(16(28)14(11)26)17(29)21(20(33-10)7-2-3-8(24)9(25)4-7)35-22-19(31)18(30)15(27)12(6-23)34-22/h2-5,12,15,18-19,22-28,30-31H,6H2,1H3 |
InChI Key | AGKJZAUTPQSZRO-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H22O13 |
Molecular Weight | 494.40 g/mol |
Exact Mass | 494.10604075 g/mol |
Topological Polar Surface Area (TPSA) | 216.00 Ų |
XlogP | 0.30 |
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 | 99.49% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.72% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 97.04% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.70% | 94.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.95% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.83% | 89.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.20% | 99.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.14% | 86.33% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.29% | 99.15% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.37% | 94.73% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.75% | 94.45% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.72% | 95.64% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.30% | 86.92% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.54% | 95.56% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.33% | 92.62% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.91% | 90.71% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.21% | 96.21% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.18% | 95.89% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.04% | 95.53% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.57% | 96.00% |
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.
Paepalanthus latipes |
PubChem | 74978464 |
LOTUS | LTS0133465 |
wikiData | Q104911852 |