4-[(Z)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-1-benzofuran-4-yl]ethenyl]benzene-1,2-diol
Internal ID | c01f5d93-0015-44ad-b896-c2c5c20e00ca |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | 4-[(Z)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-1-benzofuran-4-yl]ethenyl]benzene-1,2-diol |
SMILES (Canonical) | C1=CC(=C(C=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O)O |
SMILES (Isomeric) | C1=CC(=C(C=C1/C=C\C2=C3[C@H]([C@@H](OC3=CC(=C2)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O)O |
InChI | InChI=1S/C28H22O8/c29-18-9-17(10-19(30)12-18)27-26-15(3-1-14-2-5-21(32)23(34)7-14)8-20(31)13-25(26)36-28(27)16-4-6-22(33)24(35)11-16/h1-13,27-35H/b3-1-/t27-,28+/m1/s1 |
InChI Key | MTYSFTYBAMMIGE-BEWIEEJISA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H22O8 |
Molecular Weight | 486.50 g/mol |
Exact Mass | 486.13146766 g/mol |
Topological Polar Surface Area (TPSA) | 151.00 Ų |
XlogP | 4.70 |
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 | 99.45% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.97% | 91.49% |
CHEMBL3194 | P02766 | Transthyretin | 96.85% | 90.71% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.11% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.17% | 95.56% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.26% | 99.15% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.36% | 94.73% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.46% | 96.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.08% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.94% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.14% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.34% | 94.45% |
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.
Maackia amurensis |
Polyscias murrayi |
PubChem | 163187406 |
LOTUS | LTS0215859 |
wikiData | Q105184032 |