(2,4-Dihydroxyphenyl)-[6-(2,4-dihydroxyphenyl)-2-[5-[2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone
| Internal ID | c894b578-1eb0-4c4c-a36c-c4652dd93eef |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | (2,4-dihydroxyphenyl)-[6-(2,4-dihydroxyphenyl)-2-[5-[2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H30O8/c1-18-10-28(25-7-5-21(35)16-31(25)40)33(34(42)26-8-6-22(36)17-32(26)41)29(11-18)27-14-19(4-9-30(27)39)2-3-20-12-23(37)15-24(38)13-20/h2-9,11-17,28-29,33,35-41H,10H2,1H3 |
| InChI Key | BENCEMVUEREMHX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H30O8 |
| Molecular Weight | 566.60 g/mol |
| Exact Mass | 566.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 159.00 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of (2,4-Dihydroxyphenyl)-[6-(2,4-dihydroxyphenyl)-2-[5-[2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone](https://plantaedb.com/storage/docs/compounds/2023/11/9e988970-8573-11ee-b508-b9bc7c64ae3e.jpg "2D Structure of (2,4-Dihydroxyphenyl)-[6-(2,4-dihydroxyphenyl)-2-[5-[2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone")
| 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 | 97.00% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.79% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.59% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.48% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 91.23% | 90.71% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 90.88% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.74% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.27% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.56% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.85% | 91.49% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.90% | 93.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.19% | 98.75% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.59% | 91.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.09% | 95.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.97% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.78% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.77% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.99% | 96.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.72% | 91.71% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.02% | 100.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 80.62% | 94.45% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.59% | 97.36% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.38% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.32% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.08% | 97.09% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.04% | 90.24% |
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.
| Morus macroura |
| PubChem | 72764063 |
| LOTUS | LTS0220623 |
| wikiData | Q104933215 |