2-[[2-(2,4-dihydroxyphenyl)-7-(3,7-dimethylocta-2,6-dienyl)-5,6-dihydroxy-1-benzofuran-3-yl]methyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
| Internal ID | 77ecaf26-98a0-4b2b-95c2-75a8af39d207 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 2-[[2-(2,4-dihydroxyphenyl)-7-(3,7-dimethylocta-2,6-dienyl)-5,6-dihydroxy-1-benzofuran-3-yl]methyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H36O9/c1-20(2)5-4-6-21(3)7-10-27-37(46)34(45)17-29-28(38(49-39(27)29)26-12-9-23(41)15-33(26)44)13-22-14-30-35(18-32(22)43)47-19-31-25-11-8-24(42)16-36(25)48-40(30)31/h5,7-9,11-12,14-18,41-46H,4,6,10,13,19H2,1-3H3 |
| InChI Key | DMXCZIUMBYRKQW-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H36O9 |
| Molecular Weight | 660.70 g/mol |
| Exact Mass | 660.23593272 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 9.20 |
| There are no found synonyms. |
![2D Structure of 2-[[2-(2,4-dihydroxyphenyl)-7-(3,7-dimethylocta-2,6-dienyl)-5,6-dihydroxy-1-benzofuran-3-yl]methyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol](https://plantaedb.com/storage/docs/compounds/2023/11/3fcf4560-8625-11ee-93ec-49791650cc61.jpg "2D Structure of 2-[[2-(2,4-dihydroxyphenyl)-7-(3,7-dimethylocta-2,6-dienyl)-5,6-dihydroxy-1-benzofuran-3-yl]methyl]-6H-[1]benzofuro[3,2-c]chromene-3,9-diol")
| 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 | 99.93% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.47% | 91.49% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 97.16% | 98.35% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 96.19% | 83.57% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.80% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.00% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.89% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.30% | 92.08% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 91.35% | 91.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.04% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.63% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.03% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.86% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.85% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.47% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.13% | 89.62% |
| CHEMBL3194 | P02766 | Transthyretin | 86.02% | 90.71% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.48% | 88.48% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.42% | 85.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.97% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.96% | 95.56% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.46% | 92.68% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.76% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.92% | 90.71% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.87% | 95.58% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.61% | 96.12% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.45% | 99.23% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 81.41% | 98.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.21% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.95% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.08% | 86.33% |
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.
| Lespedeza homoloba |
| PubChem | 85174912 |
| LOTUS | LTS0186318 |
| wikiData | Q104985366 |