[4-[5-methoxy-7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-4-oxochromen-2-yl]phenyl]methyl (3S)-3-ethylheptanoate
| Internal ID | e3c4dac9-c295-4422-aabd-60fffc3f60de |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 5-O-methylated flavonoids |
| IUPAC Name | [4-[5-methoxy-7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-4-oxochromen-2-yl]phenyl]methyl (3S)-3-ethylheptanoate |
| SMILES (Canonical) | CCCCC(CC)CC(=O)OCC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC(=O)C=CC4=CC=C(C=C4)OC |
| SMILES (Isomeric) | CCCC[C@H](CC)CC(=O)OCC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC(=O)/C=C/C4=CC=C(C=C4)OC |
| InChI | InChI=1S/C36H38O8/c1-5-7-8-24(6-2)19-35(39)42-23-26-9-14-27(15-10-26)31-22-30(37)36-32(41-4)20-29(21-33(36)44-31)43-34(38)18-13-25-11-16-28(40-3)17-12-25/h9-18,20-22,24H,5-8,19,23H2,1-4H3/b18-13+/t24-/m0/s1 |
| InChI Key | RJIPICQWXFDSRG-FTCDTSOASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H38O8 |
| Molecular Weight | 598.70 g/mol |
| Exact Mass | 598.25666817 g/mol |
| Topological Polar Surface Area (TPSA) | 97.40 Ų |
| XlogP | 8.10 |
| There are no found synonyms. |
![2D Structure of [4-[5-methoxy-7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-4-oxochromen-2-yl]phenyl]methyl (3S)-3-ethylheptanoate](https://plantaedb.com/storage/docs/compounds/2023/11/fcff8ce0-86bc-11ee-b2a5-97788be44718.jpg "2D Structure of [4-[5-methoxy-7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-4-oxochromen-2-yl]phenyl]methyl (3S)-3-ethylheptanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.33% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.85% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.63% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.16% | 91.11% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 95.43% | 93.31% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.27% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 95.19% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.36% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.29% | 91.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.15% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.04% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.19% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.27% | 93.99% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.22% | 92.08% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.70% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.59% | 90.71% |
| CHEMBL4531 | P17931 | Galectin-3 | 86.90% | 96.90% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.29% | 97.28% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.91% | 100.00% |
| CHEMBL3194 | P02766 | Transthyretin | 84.69% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.64% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.61% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.01% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.32% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.93% | 93.00% |
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.
| Prunus domestica |
| PubChem | 162845726 |
| LOTUS | LTS0153223 |
| wikiData | Q105237499 |