7-Hydroxy-2-[4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-3-[3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxychromen-4-one
Internal ID | 68a30e68-9a43-4e9b-ba92-69760d2a79fc |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | 7-hydroxy-2-[4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-3-[3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(C(C(O2)OC3=C(OC4=C(C3=O)C=CC(=C4)O)C5=CC=C(C=C5)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C(C(C(C(O2)OC3=C(OC4=C(C3=O)C=CC(=C4)O)C5=CC=C(C=C5)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O)O)O)O |
InChI | InChI=1S/C38H48O24/c1-11-19(41)23(45)28(50)35(55-11)61-38-31(53)26(48)30(52)37(62-38)60-33-20(42)15-7-4-13(40)8-16(15)57-32(33)12-2-5-14(6-3-12)56-36-29(51)25(47)22(44)18(59-36)10-54-34-27(49)24(46)21(43)17(9-39)58-34/h2-8,11,17-19,21-31,34-41,43-53H,9-10H2,1H3 |
InChI Key | FIQBWFDPWOTXQL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C38H48O24 |
Molecular Weight | 888.80 g/mol |
Exact Mass | 888.25355239 g/mol |
Topological Polar Surface Area (TPSA) | 383.00 Ų |
XlogP | -5.00 |
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 | 99.71% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.85% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 97.53% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.61% | 94.00% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 95.66% | 83.57% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.30% | 91.49% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 94.81% | 98.35% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.65% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.87% | 99.17% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.46% | 99.15% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.22% | 94.73% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.71% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.44% | 95.56% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.34% | 86.92% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.32% | 95.89% |
CHEMBL1907 | P15144 | Aminopeptidase N | 87.08% | 93.31% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.00% | 97.36% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.08% | 96.09% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.54% | 91.71% |
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 cerasus |
PubChem | 162873473 |
LOTUS | LTS0117896 |
wikiData | Q104995821 |