myristoyl-DL-Asn-DL-Val-DL-Phe-DL-Asn-DL-Asn-DL-Lys(4-OH)-DL-xiThr-Gly-DL-Trp-DL-xiIle-OH
| Internal ID | 1c8fc171-cd71-4336-9c01-cc89c84b926b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[[2-[[2-[[2-[[6-amino-2-[[4-amino-2-[[4-amino-2-[[2-[[2-[[4-amino-4-oxo-2-(tetradecanoylamino)butanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxyhexanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid |
| SMILES (Canonical) | CCCCCCCCCCCCCC(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(CCN)O)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(C(C)CC)C(=O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCC(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(CCN)O)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(C(C)CC)C(=O)O |
| InChI | InChI=1S/C69H107N15O17/c1-7-9-10-11-12-13-14-15-16-17-21-28-56(90)76-50(34-53(71)87)66(97)82-58(39(3)4)68(99)81-47(31-42-24-19-18-20-25-42)61(92)79-52(36-55(73)89)63(94)80-51(35-54(72)88)62(93)78-49(33-44(86)29-30-70)65(96)84-60(41(6)85)67(98)75-38-57(91)77-48(64(95)83-59(69(100)101)40(5)8-2)32-43-37-74-46-27-23-22-26-45(43)46/h18-20,22-27,37,39-41,44,47-52,58-60,74,85-86H,7-17,21,28-36,38,70H2,1-6H3,(H2,71,87)(H2,72,88)(H2,73,89)(H,75,98)(H,76,90)(H,77,91)(H,78,93)(H,79,92)(H,80,94)(H,81,99)(H,82,97)(H,83,95)(H,84,96)(H,100,101) |
| InChI Key | ZDZVUYXFDHKIKT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C69H107N15O17 |
| Molecular Weight | 1418.70 g/mol |
| Exact Mass | 1417.79693700 g/mol |
| Topological Polar Surface Area (TPSA) | 540.00 Ų |
| XlogP | 0.00 |
| 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 | 99.98% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.60% | 91.11% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.41% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.90% | 90.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 98.74% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.67% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.12% | 96.09% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 98.04% | 97.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.07% | 89.63% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 96.46% | 91.81% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.38% | 92.08% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 95.54% | 98.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.27% | 95.56% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 93.91% | 98.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.57% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.41% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.75% | 97.64% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 91.51% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.49% | 97.21% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.98% | 95.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.90% | 96.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 90.75% | 87.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.55% | 95.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 90.18% | 100.00% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 89.64% | 96.28% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 89.36% | 93.18% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 89.12% | 88.42% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.92% | 98.75% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 88.84% | 89.33% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 88.79% | 95.00% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 88.27% | 96.67% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 87.25% | 98.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.24% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.91% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.62% | 94.73% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.49% | 97.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.97% | 96.47% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 84.93% | 95.48% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.47% | 93.03% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.30% | 96.90% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.90% | 95.56% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 81.95% | 82.86% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 81.62% | 95.52% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.35% | 89.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.94% | 100.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.53% | 93.04% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.34% | 85.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.15% | 96.95% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162816370 |
| LOTUS | LTS0241533 |
| wikiData | Q104202320 |