Unk-Asp-DL-Dap(1)-Pip-Gly-Asp-Gly-Asp-Gly-aThr-Ile-Pro-(1)
| Internal ID | 43607bd8-562d-4529-a8c8-d70a3f01dff2 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (3S)-4-[[(7S,13S,16S,22S,28S,34S)-13-[(2S)-butan-2-yl]-22,28-bis(carboxymethyl)-16-[(1S)-1-hydroxyethyl]-2,6,12,15,18,21,24,27,30,33-decaoxo-1,5,11,14,17,20,23,26,29,32-decazatricyclo[32.4.0.07,11]octatriacontan-3-yl]amino]-3-[[(E)-13-methyltetradec-2-enoyl]amino]-4-oxobutanoic acid |
| SMILES (Canonical) | CCC(C)C1C(=O)N2CCCC2C(=O)NCC(C(=O)N3CCCCC3C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)C(C)O)CC(=O)O)CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C=CCCCCCCCCCC(C)C |
| SMILES (Isomeric) | CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(C(=O)N3CCCC[C@H]3C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)[C@H](C)O)CC(=O)O)CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)/C=C/CCCCCCCCCC(C)C |
| InChI | InChI=1S/C57H90N12O19/c1-6-33(4)48-57(88)69-24-18-21-40(69)53(84)58-28-38(65-52(83)37(27-47(79)80)62-41(71)22-15-13-11-9-7-8-10-12-14-19-32(2)3)56(87)68-23-17-16-20-39(68)54(85)61-30-43(73)64-35(25-45(75)76)50(81)59-29-42(72)63-36(26-46(77)78)51(82)60-31-44(74)66-49(34(5)70)55(86)67-48/h15,22,32-40,48-49,70H,6-14,16-21,23-31H2,1-5H3,(H,58,84)(H,59,81)(H,60,82)(H,61,85)(H,62,71)(H,63,72)(H,64,73)(H,65,83)(H,66,74)(H,67,86)(H,75,76)(H,77,78)(H,79,80)/b22-15+/t33-,34-,35-,36-,37-,38?,39-,40-,48-,49-/m0/s1 |
| InChI Key | JHAQMJWHVDTRJM-AHWDIBLASA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C57H90N12O19 |
| Molecular Weight | 1247.40 g/mol |
| Exact Mass | 1246.64451869 g/mol |
| Topological Polar Surface Area (TPSA) | 464.00 Ų |
| XlogP | 1.00 |
| 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 | 99.88% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.05% | 96.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 98.28% | 92.97% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 98.10% | 96.38% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 98.01% | 94.66% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.77% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.34% | 94.45% |
| CHEMBL236 | P41143 | Delta opioid receptor | 96.98% | 99.35% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 96.92% | 96.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.63% | 90.08% |
| CHEMBL4071 | P08311 | Cathepsin G | 96.49% | 94.64% |
| CHEMBL4801 | P29466 | Caspase-1 | 96.04% | 96.85% |
| CHEMBL1801 | P00747 | Plasminogen | 95.99% | 92.44% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 94.50% | 90.93% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 94.42% | 96.31% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 94.17% | 95.50% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.92% | 82.38% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 93.54% | 97.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.51% | 90.71% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 92.99% | 94.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 92.90% | 96.90% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.72% | 99.17% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 92.54% | 92.12% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.45% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.80% | 96.47% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.50% | 93.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 91.40% | 98.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.19% | 91.03% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 90.05% | 98.24% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.99% | 94.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.93% | 93.03% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.54% | 95.93% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 89.46% | 95.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 87.75% | 98.05% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.70% | 97.05% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.54% | 90.24% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.04% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.41% | 89.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.22% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.19% | 99.18% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.06% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.56% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.45% | 89.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.33% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.10% | 95.89% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 84.06% | 97.86% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.99% | 94.33% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 83.97% | 94.55% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.91% | 85.14% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 83.59% | 94.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.92% | 91.11% |
| CHEMBL2474 | P53582 | Methionine aminopeptidase 1 | 82.68% | 97.09% |
| CHEMBL3468 | P55210 | Caspase-7 | 82.49% | 95.68% |
| CHEMBL228 | P31645 | Serotonin transporter | 81.65% | 95.51% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.59% | 97.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.84% | 97.09% |
| CHEMBL4633 | P22001 | Voltage-gated potassium channel subunit Kv1.3 | 80.48% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.23% | 98.59% |
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.
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| There are no matching plants. |
| PubChem | 102275824 |
| LOTUS | LTS0125430 |
| wikiData | Q105127823 |