4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)-
Internal ID | a4407273-e410-4fe2-80d3-52c98e01fcfe |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | (2S)-2-(3,4-dihydroxyphenyl)-5-methoxy-6-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
SMILES (Canonical) | CC1=C(C=C2C(=C1OC)C(=O)CC(O2)C3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O |
SMILES (Isomeric) | CC1=C(C=C2C(=C1OC)C(=O)C[C@H](O2)C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
InChI | InChI=1S/C23H26O11/c1-9-14(33-23-21(30)20(29)19(28)17(8-24)34-23)7-16-18(22(9)31-2)13(27)6-15(32-16)10-3-4-11(25)12(26)5-10/h3-5,7,15,17,19-21,23-26,28-30H,6,8H2,1-2H3/t15-,17+,19+,20-,21+,23+/m0/s1 |
InChI Key | DYRNKQIDEAXXHP-FYRBRTNOSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H26O11 |
Molecular Weight | 478.40 g/mol |
Exact Mass | 478.14751164 g/mol |
Topological Polar Surface Area (TPSA) | 175.00 Ų |
XlogP | 0.40 |
85687-89-4 |
DTXSID90234978 |
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% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.58% | 96.09% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.25% | 83.82% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.76% | 95.56% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.49% | 96.21% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.22% | 89.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.18% | 97.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.82% | 94.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.65% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 91.62% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.85% | 94.45% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.18% | 99.15% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.08% | 86.92% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.94% | 90.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.53% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.31% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.19% | 99.23% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.95% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.00% | 94.73% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.90% | 96.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.23% | 96.95% |
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.
Prosopis juliflora |
PubChem | 158851 |
LOTUS | LTS0121630 |
wikiData | Q83116830 |