Unk-DL-Ala-Gly-DL-Tyr-DL-Ala-DL-Tyr(Unk)-OH
| Internal ID | 52450ed4-aae6-4335-9321-e3e06d098ef8 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[2-[[3-(4-hydroxyphenyl)-2-[[2-[2-[(2-hydroxy-3-phenylpropanoyl)amino]propanoylamino]acetyl]amino]propanoyl]amino]propanoylamino]-3-[4-(3-methylbut-2-enoxy)phenyl]propanoic acid |
| SMILES (Canonical) | CC(C(=O)NC(CC1=CC=C(C=C1)OCC=C(C)C)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CNC(=O)C(C)NC(=O)C(CC3=CC=CC=C3)O |
| SMILES (Isomeric) | CC(C(=O)NC(CC1=CC=C(C=C1)OCC=C(C)C)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CNC(=O)C(C)NC(=O)C(CC3=CC=CC=C3)O |
| InChI | InChI=1S/C40H49N5O10/c1-24(2)18-19-55-31-16-12-29(13-17-31)21-33(40(53)54)45-37(50)26(4)42-38(51)32(20-28-10-14-30(46)15-11-28)44-35(48)23-41-36(49)25(3)43-39(52)34(47)22-27-8-6-5-7-9-27/h5-18,25-26,32-34,46-47H,19-23H2,1-4H3,(H,41,49)(H,42,51)(H,43,52)(H,44,48)(H,45,50)(H,53,54) |
| InChI Key | BRRIQKRUEWKTLZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H49N5O10 |
| Molecular Weight | 759.80 g/mol |
| Exact Mass | 759.34794278 g/mol |
| Topological Polar Surface Area (TPSA) | 233.00 Ų |
| XlogP | 3.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.92% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.62% | 90.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 98.37% | 99.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.30% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.23% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 96.68% | 90.20% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 95.98% | 95.50% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 95.32% | 89.33% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 94.69% | 96.67% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.41% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.79% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.46% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.36% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.19% | 95.89% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.91% | 94.62% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.68% | 97.21% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 89.09% | 97.23% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 89.08% | 92.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.40% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.12% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.10% | 94.45% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.22% | 96.61% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.35% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.17% | 93.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.12% | 93.10% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 84.44% | 94.97% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.30% | 96.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.59% | 97.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.67% | 93.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163044611 |
| LOTUS | LTS0056650 |
| wikiData | Q104086302 |