2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Internal ID | 06b6d462-2676-4157-ab8e-fa57837a5663 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)OC)OC4C(C(C(C(O4)CO)O)O)O |
SMILES (Isomeric) | COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
InChI | InChI=1S/C24H26O12/c1-31-13-6-10(4-5-12(13)26)22-23(33-3)19(28)17-14(32-2)7-11(8-15(17)35-22)34-24-21(30)20(29)18(27)16(9-25)36-24/h4-8,16,18,20-21,24-27,29-30H,9H2,1-3H3/t16-,18-,20+,21-,24-/m1/s1 |
InChI Key | HLJDTSHVHYSVGJ-FKYCOBHJSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H26O12 |
Molecular Weight | 506.50 g/mol |
Exact Mass | 506.14242626 g/mol |
Topological Polar Surface Area (TPSA) | 174.00 Ų |
XlogP | 0.80 |
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 | 99.36% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.47% | 94.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.88% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.44% | 89.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.25% | 99.15% |
CHEMBL2581 | P07339 | Cathepsin D | 93.08% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.77% | 86.33% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.87% | 86.92% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.18% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.16% | 95.56% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.82% | 96.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.52% | 85.14% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.70% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.39% | 99.17% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.53% | 92.62% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.02% | 95.89% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.85% | 96.21% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.08% | 97.09% |
CHEMBL220 | P22303 | Acetylcholinesterase | 80.55% | 94.45% |
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.
Carya illinoinensis |
PubChem | 132520409 |
LOTUS | LTS0232839 |
wikiData | Q105030169 |