2-[3-[5-[2-(3,5-Dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Internal ID | 50a34c57-a38f-4725-8d0e-d5653882519d |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | 2-[3-[5-[2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O |
InChI | InChI=1S/C34H32O11/c35-16-28-30(40)31(41)32(42)34(45-28)43-25-13-20(12-24(39)15-25)29-26-11-17(1-2-18-9-22(37)14-23(38)10-18)3-8-27(26)44-33(29)19-4-6-21(36)7-5-19/h1-15,28-42H,16H2 |
InChI Key | ZJIBDVBTKQSZQZ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C34H32O11 |
Molecular Weight | 616.60 g/mol |
Exact Mass | 616.19446183 g/mol |
Topological Polar Surface Area (TPSA) | 190.00 Ų |
XlogP | 3.60 |
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 | 99.52% | 91.11% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.91% | 94.73% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.30% | 97.09% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 92.37% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.20% | 89.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.49% | 96.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 90.81% | 95.93% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.90% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.77% | 86.33% |
CHEMBL3194 | P02766 | Transthyretin | 89.69% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.83% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 88.29% | 98.95% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.76% | 91.71% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.44% | 86.92% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.30% | 99.17% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 83.93% | 98.35% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.06% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.14% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.67% | 95.89% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.47% | 97.36% |
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.
Vitis vinifera |
PubChem | 85253899 |
LOTUS | LTS0197349 |
wikiData | Q105377911 |