4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-7-methoxy-
Internal ID | 0e18a124-4b0d-4b17-b424-c655d271117d |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
IUPAC Name | 3-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C(=CO2)C4=CC=C(C=C4)O |
SMILES (Isomeric) | COC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C(=CO2)C4=CC=C(C=C4)O |
InChI | InChI=1S/C22H22O10/c1-29-12-6-14-17(18(25)13(9-30-14)10-2-4-11(24)5-3-10)15(7-12)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1 |
InChI Key | AJAGLPDYKVWJQE-RECXWPGBSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H22O10 |
Molecular Weight | 446.40 g/mol |
Exact Mass | 446.12129689 g/mol |
Topological Polar Surface Area (TPSA) | 155.00 Ų |
XlogP | 0.60 |
4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-7-methoxy- |
3-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
DTXSID401008891 |
HY-N7683 |
Prunetin 5-O-??-D-glucopyranoside |
Prunetin 5-O-beta-D-glucopyranoside |
AKOS040758440 |
CS-0135205 |
3-(4-Hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-5-yl hexopyranoside |
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 | 98.57% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.15% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.12% | 85.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.70% | 94.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.19% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.26% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.49% | 95.56% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.69% | 99.15% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.35% | 86.33% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.30% | 96.21% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.80% | 86.92% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.66% | 99.17% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.31% | 95.89% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.82% | 95.78% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.67% | 97.09% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.42% | 91.71% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.61% | 90.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.48% | 95.89% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.83% | 96.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.23% | 90.71% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.83% | 94.73% |
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.
Prunus avium |
PubChem | 184974 |
LOTUS | LTS0257214 |
wikiData | Q83005508 |