1-[3-[6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
| Internal ID | d73ae6e1-999a-4bef-8d9e-00420774cafc |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 1-[3-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H30O10/c1-17-12-25(22-7-5-20(37)15-30(22)42)32(34(44)24-8-6-21(38)16-31(24)43)26(13-17)33-28(40)11-9-23(35(33)45)27(39)10-3-18-2-4-19(36)14-29(18)41/h2-11,13-16,25-26,32,36-38,40-43,45H,12H2,1H3 |
| InChI Key | MMJIIJACEIDTID-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H30O10 |
| Molecular Weight | 610.60 g/mol |
| Exact Mass | 610.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 1-[3-[6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/dcfec370-854d-11ee-9d04-6548609e750e.jpg "2D Structure of 1-[3-[6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one")
| 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 | 99.02% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.32% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.13% | 95.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 95.71% | 97.36% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.25% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.93% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.62% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.42% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 88.78% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.73% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.52% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.73% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.57% | 93.56% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.51% | 85.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.23% | 98.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.03% | 91.71% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.68% | 95.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.03% | 99.15% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.42% | 90.24% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.31% | 85.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.10% | 97.09% |
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 | 163056006 |
| LOTUS | LTS0189230 |
| wikiData | Q105167794 |