(E)-N-cyclohexyl-3-[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-6-hydroxy-2,4-dimethoxyphenyl]prop-2-enamide
| Internal ID | 0672a115-714b-498d-8f5e-9d3004cf91e3 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (E)-N-cyclohexyl-3-[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-6-hydroxy-2,4-dimethoxyphenyl]prop-2-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H33NO6/c1-22(2,27)19(25)12-16-18(28-3)13-17(24)15(21(16)29-4)10-11-20(26)23-14-8-6-5-7-9-14/h10-11,13-14,19,24-25,27H,5-9,12H2,1-4H3,(H,23,26)/b11-10+/t19-/m0/s1 |
| InChI Key | LPYWPLVBVKPZIA-VYENPZKTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H33NO6 |
| Molecular Weight | 407.50 g/mol |
| Exact Mass | 407.23078777 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (E)-N-cyclohexyl-3-[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-6-hydroxy-2,4-dimethoxyphenyl]prop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/dd7a1780-8565-11ee-a1cc-093ff7f06a6e.jpg "2D Structure of (E)-N-cyclohexyl-3-[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-6-hydroxy-2,4-dimethoxyphenyl]prop-2-enamide")
| 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 | 97.31% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.70% | 96.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 92.38% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.00% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.60% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 91.10% | 89.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.00% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.25% | 93.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.87% | 92.88% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.78% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.72% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.96% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.95% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.64% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.31% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.97% | 96.00% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 86.40% | 98.57% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.35% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.68% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.63% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.77% | 93.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.15% | 94.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.13% | 97.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.09% | 100.00% |
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.
| Zanthoxylum asiaticum |
| PubChem | 162973515 |
| LOTUS | LTS0216196 |
| wikiData | Q105155416 |