(+)-Upsilon-L-{N-(6R,2E,4E)-7-[4'-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl}glutamine
| Internal ID | 64d0f293-5ce9-4d51-8f22-ba3b95a57ea3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamine and derivatives |
| IUPAC Name | (2S)-5-amino-2-[[(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | CC(C=C(C)C=CC(=O)NC(CCC(=O)N)C(=O)O)C(=O)C1=CC=C(C=C1)N(C)C |
| SMILES (Isomeric) | C[C@H](/C=C(\C)/C=C/C(=O)N[C@@H](CCC(=O)N)C(=O)O)C(=O)C1=CC=C(C=C1)N(C)C |
| InChI | InChI=1S/C22H29N3O5/c1-14(5-12-20(27)24-18(22(29)30)10-11-19(23)26)13-15(2)21(28)16-6-8-17(9-7-16)25(3)4/h5-9,12-13,15,18H,10-11H2,1-4H3,(H2,23,26)(H,24,27)(H,29,30)/b12-5+,14-13+/t15-,18+/m1/s1 |
| InChI Key | LMAAAXDPMICDDY-MMCPDIFUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H29N3O5 |
| Molecular Weight | 415.50 g/mol |
| Exact Mass | 415.21072103 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 2.10 |
| BDBM50577999 |
| (+)-Upsilon-L-{N-(6R,2E,4E)-7-[4'-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl}glutamine |
![2D Structure of (+)-Upsilon-L-{N-(6R,2E,4E)-7-[4'-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl}glutamine](https://plantaedb.com/storage/docs/compounds/2023/11/15f725a0-8561-11ee-9826-8de6e3d0b273.jpg "2D Structure of (+)-Upsilon-L-{N-(6R,2E,4E)-7-[4'-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl}glutamine")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.61% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.35% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.08% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.45% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.93% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.84% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.06% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.52% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.26% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.06% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.18% | 95.56% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 85.03% | 95.48% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.41% | 91.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.18% | 93.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 83.55% | 99.35% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.25% | 100.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 82.95% | 97.23% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.83% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.46% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.34% | 91.19% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.61% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.10% | 89.34% |
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 | 139585907 |
| LOTUS | LTS0083166 |
| wikiData | Q77494550 |