3-(4-hydroxy-3,5-dimethoxyphenyl)propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Internal ID | c35f2964-e4ae-4c4d-b24e-616608761d92 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | 3-(4-hydroxy-3,5-dimethoxyphenyl)propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)CCCOC(=O)C=CC2=CC(=C(C=C2)O)OC |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)CCCOC(=O)/C=C/C2=CC(=C(C=C2)O)OC |
| InChI | InChI=1S/C21H24O7/c1-25-17-11-14(6-8-16(17)22)7-9-20(23)28-10-4-5-15-12-18(26-2)21(24)19(13-15)27-3/h6-9,11-13,22,24H,4-5,10H2,1-3H3/b9-7+ |
| InChI Key | NANVSEZBOWJRFG-VQHVLOKHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H24O7 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
| 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 | 98.41% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.93% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.45% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 95.59% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.21% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.12% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.96% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.67% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.61% | 89.62% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.97% | 80.78% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.83% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.31% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.87% | 89.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.48% | 95.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.85% | 91.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.16% | 90.00% |
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.
| Peganum nigellastrum |
| PubChem | 102369823 |
| LOTUS | LTS0070461 |
| wikiData | Q105176426 |