N-[1-(4-methoxyphenyl)-3-oxo-4-(3,4,5-trimethoxyphenyl)butan-2-yl]formamide
| Internal ID | 814cce05-3256-4a39-ba29-6c24941a2f2e |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | N-[1-(4-methoxyphenyl)-3-oxo-4-(3,4,5-trimethoxyphenyl)butan-2-yl]formamide |
| SMILES (Canonical) | COC1=CC=C(C=C1)CC(C(=O)CC2=CC(=C(C(=C2)OC)OC)OC)NC=O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)CC(C(=O)CC2=CC(=C(C(=C2)OC)OC)OC)NC=O |
| InChI | InChI=1S/C21H25NO6/c1-25-16-7-5-14(6-8-16)9-17(22-13-23)18(24)10-15-11-19(26-2)21(28-4)20(12-15)27-3/h5-8,11-13,17H,9-10H2,1-4H3,(H,22,23) |
| InChI Key | ISLZSBCNTPPXAF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H25NO6 |
| Molecular Weight | 387.40 g/mol |
| Exact Mass | 387.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 83.10 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of N-[1-(4-methoxyphenyl)-3-oxo-4-(3,4,5-trimethoxyphenyl)butan-2-yl]formamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-1-4-methoxyphenyl-3-oxo-4-345-trimethoxyphenylbutan-2-ylformamide.jpg "2D Structure of N-[1-(4-methoxyphenyl)-3-oxo-4-(3,4,5-trimethoxyphenyl)butan-2-yl]formamide")
| 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 | 97.26% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 96.89% | 90.20% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.34% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.51% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.28% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.85% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.41% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.38% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.15% | 86.33% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 85.98% | 87.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.82% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.75% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.18% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.16% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.19% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.05% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.93% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.86% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.44% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.79% | 91.07% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.71% | 97.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.51% | 94.00% |
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.
| There are no matching plants. |
| PubChem | 163019520 |
| LOTUS | LTS0085953 |
| wikiData | Q104169082 |