[2-[4-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl] 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Internal ID | a5bcef9f-8e3f-4442-b27d-ffeab5b20fa7 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
IUPAC Name | [2-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl] 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate |
SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2=CC(=C3C(=O)CC(OC3=C2)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(CO6)(CO)O)O)O |
SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2=CC(=C3C(=O)CC(OC3=C2)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(CO6)(CO)O)O)O |
InChI | InChI=1S/C37H40O18/c1-48-25-9-17(10-26(49-2)30(25)43)3-8-28(42)51-20-11-21(40)29-22(41)13-23(53-24(29)12-20)18-4-6-19(7-5-18)52-35-33(32(45)31(44)27(14-38)54-35)55-36-34(46)37(47,15-39)16-50-36/h3-12,23,27,31-36,38-40,43-47H,13-16H2,1-2H3 |
InChI Key | PSZFXLHZWDZQMH-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C37H40O18 |
Molecular Weight | 772.70 g/mol |
Exact Mass | 772.22146442 g/mol |
Topological Polar Surface Area (TPSA) | 270.00 Ų |
XlogP | 1.10 |
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 | 99.87% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.71% | 89.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.59% | 97.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.85% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.33% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.19% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.17% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.23% | 96.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 93.16% | 90.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.36% | 86.92% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.42% | 95.89% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.06% | 91.07% |
CHEMBL2243 | O00519 | Anandamide amidohydrolase | 89.70% | 97.53% |
CHEMBL2581 | P07339 | Cathepsin D | 89.48% | 98.95% |
CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 88.69% | 92.68% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.48% | 99.23% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.34% | 99.17% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.79% | 92.94% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.70% | 94.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 87.64% | 95.93% |
CHEMBL3194 | P02766 | Transthyretin | 84.94% | 90.71% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.17% | 97.36% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.66% | 96.21% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.66% | 100.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.47% | 92.62% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.74% | 97.28% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.15% | 95.71% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.15% | 90.71% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.96% | 94.33% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.53% | 97.14% |
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.
Viscum album |
PubChem | 163057018 |
LOTUS | LTS0060473 |
wikiData | Q104888504 |