8-[(E)-2-[(1R,2R)-2-(5,7-dimethoxy-2-oxochromen-8-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]-5,7-dimethoxychromen-2-one
| Internal ID | 5684982d-3c80-48c2-aad2-0dab0178ad69 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 8-[(E)-2-[(1R,2R)-2-(5,7-dimethoxy-2-oxochromen-8-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]-5,7-dimethoxychromen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H32O8/c1-18-11-13-32(2,14-12-21-24(36-4)16-23(35-3)19-7-9-27(33)39-30(19)21)22(15-18)29-26(38-6)17-25(37-5)20-8-10-28(34)40-31(20)29/h7-10,12,14-17,22H,11,13H2,1-6H3/b14-12+/t22-,32+/m0/s1 |
| InChI Key | CAOMNZCNDRTZRQ-KMLXNSKNSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C32H32O8 |
| Molecular Weight | 544.60 g/mol |
| Exact Mass | 544.20971797 g/mol |
| Topological Polar Surface Area (TPSA) | 89.50 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 8-[(E)-2-[(1R,2R)-2-(5,7-dimethoxy-2-oxochromen-8-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]-5,7-dimethoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/83cc23a0-866a-11ee-bec5-13864e63fd26.jpg "2D Structure of 8-[(E)-2-[(1R,2R)-2-(5,7-dimethoxy-2-oxochromen-8-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]-5,7-dimethoxychromen-2-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.36% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.43% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.40% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.92% | 94.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.59% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.49% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.17% | 89.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.11% | 93.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.57% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.84% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.79% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.52% | 98.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.00% | 96.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.07% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.76% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.26% | 96.00% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 81.49% | 98.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.36% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.89% | 99.23% |
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.
| Murraya paniculata |
| Zanthoxylum asiaticum |
| PubChem | 163184987 |
| LOTUS | LTS0080428 |
| wikiData | Q103786979 |