5-[6-Hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol
Internal ID | d7bf1592-31b1-4658-9d88-ebeee2db468d |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | 5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol |
SMILES (Canonical) | C1=CC(=CC=C1C=CC2=C3C(=CC(=C2)O)OC(=C3C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C=CC2=C3C(=CC(=C2)O)OC(=C3C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O)O |
InChI | InChI=1S/C28H20O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,29-33H |
InChI Key | MTRJOEZPTJRJOB-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H20O6 |
Molecular Weight | 452.50 g/mol |
Exact Mass | 452.12598835 g/mol |
Topological Polar Surface Area (TPSA) | 114.00 Ų |
XlogP | 6.10 |
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 |
---|---|---|---|---|
CHEMBL242 | Q92731 | Estrogen receptor beta | 99.22% | 98.35% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.92% | 91.11% |
CHEMBL3194 | P02766 | Transthyretin | 97.60% | 90.71% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.18% | 89.00% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 92.55% | 91.71% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.15% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.70% | 86.33% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.48% | 94.73% |
CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 88.39% | 83.10% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.96% | 96.00% |
CHEMBL2581 | P07339 | Cathepsin D | 87.64% | 98.95% |
CHEMBL3959 | P16083 | Quinone reductase 2 | 86.46% | 89.49% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.26% | 95.78% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.96% | 95.56% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 84.07% | 95.64% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.17% | 99.15% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.77% | 99.17% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.09% | 90.93% |
CHEMBL1900 | P15121 | Aldose reductase | 80.45% | 92.38% |
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 | 85041375 |
LOTUS | LTS0154243 |
wikiData | Q105171828 |