7-[(2R,3S,4R,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]oxychromen-4-one
Internal ID | ef70dc4b-47d6-4db2-aaa8-6219e6986bce |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 7-[(2R,3S,4R,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]oxychromen-4-one |
SMILES (Canonical) | CC(C1C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(O4)O)O)O)C5=CC=C(C=C5)O)O)O)O)O |
SMILES (Isomeric) | C[C@@H]([C@H]1[C@@H]([C@@H]([C@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@@H]4[C@H]([C@@H]([C@@H](O4)O)O)O)C5=CC=C(C=C5)O)O)O)O)O |
InChI | InChI=1S/C25H26O14/c1-8(26)20-16(30)18(32)24(37-20)35-11-6-12(28)14-13(7-11)36-21(9-2-4-10(27)5-3-9)22(15(14)29)38-25-19(33)17(31)23(34)39-25/h2-8,16-20,23-28,30-34H,1H3/t8-,16+,17-,18-,19-,20-,23+,24-,25-/m0/s1 |
InChI Key | HBOMRMZGLXFXCE-UIJYHZMPSA-N |
Popularity | 0 references in papers |
Molecular Formula | C25H26O14 |
Molecular Weight | 550.50 g/mol |
Exact Mass | 550.13225550 g/mol |
Topological Polar Surface Area (TPSA) | 225.00 Ų |
XlogP | 0.10 |
There are no found synonyms. |
![2D Structure of 7-[(2R,3S,4R,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]oxychromen-4-one 2D Structure of 7-[(2R,3S,4R,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/5465b790-8545-11ee-a94a-75e7e9ae2b9d.jpg)
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 | 99.05% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.51% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.06% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.09% | 89.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.07% | 99.15% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.52% | 94.73% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.43% | 94.45% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.31% | 94.00% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.24% | 95.64% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.91% | 96.09% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.92% | 90.71% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 86.51% | 98.35% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.75% | 95.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.49% | 95.89% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.44% | 95.89% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.87% | 95.78% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.75% | 99.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.56% | 86.33% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 83.37% | 83.57% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.39% | 90.00% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.25% | 93.65% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.12% | 94.80% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.60% | 86.92% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 81.45% | 91.49% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.21% | 97.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.12% | 99.23% |
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 spinosa |
PubChem | 162876945 |
LOTUS | LTS0043788 |
wikiData | Q105025407 |