octanoyl-Gly-DL-Ala-DL-Leu-Aib-DL-Ser-DL-xiIle-DL-Leu-OH
| Internal ID | 9427ede5-7ab2-4b29-9696-ab53c2b3544e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 2-[[2-[[3-hydroxy-2-[[2-methyl-2-[[4-methyl-2-[2-[[2-(octanoylamino)acetyl]amino]propanoylamino]pentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid |
| SMILES (Canonical) | CCCCCCCC(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)O |
| SMILES (Isomeric) | CCCCCCCC(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)O |
| InChI | InChI=1S/C38H69N7O10/c1-11-13-14-15-16-17-29(47)39-20-30(48)40-25(8)32(49)41-26(18-22(3)4)34(51)45-38(9,10)37(55)43-28(21-46)33(50)44-31(24(7)12-2)35(52)42-27(36(53)54)19-23(5)6/h22-28,31,46H,11-21H2,1-10H3,(H,39,47)(H,40,48)(H,41,49)(H,42,52)(H,43,55)(H,44,50)(H,45,51)(H,53,54) |
| InChI Key | RXBPMQROEPWYAU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H69N7O10 |
| Molecular Weight | 784.00 g/mol |
| Exact Mass | 783.51059142 g/mol |
| Topological Polar Surface Area (TPSA) | 261.00 Ų |
| XlogP | 3.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.94% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.88% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.22% | 96.61% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 98.98% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.15% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.90% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 97.55% | 100.00% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 96.56% | 98.94% |
| CHEMBL236 | P41143 | Delta opioid receptor | 95.51% | 99.35% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 95.28% | 97.23% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 94.71% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.37% | 90.17% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 93.22% | 92.26% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 93.17% | 98.03% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 93.04% | 96.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.53% | 100.00% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 92.14% | 98.89% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 91.86% | 89.33% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.79% | 92.86% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.40% | 96.47% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.18% | 92.08% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 90.73% | 90.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.38% | 96.09% |
| CHEMBL3776 | Q14790 | Caspase-8 | 90.33% | 97.06% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.24% | 85.94% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 90.04% | 85.40% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.99% | 92.88% |
| CHEMBL260 | Q16539 | MAP kinase p38 alpha | 89.66% | 97.78% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.64% | 96.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.35% | 95.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.16% | 97.21% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 88.66% | 98.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.27% | 91.81% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.02% | 85.31% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.80% | 96.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.78% | 97.79% |
| CHEMBL3468 | P55210 | Caspase-7 | 86.67% | 95.68% |
| CHEMBL3308 | P55212 | Caspase-6 | 85.31% | 97.56% |
| CHEMBL268 | P43235 | Cathepsin K | 84.77% | 96.85% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.07% | 100.00% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 84.05% | 93.85% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.93% | 95.38% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 83.77% | 92.80% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.48% | 95.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.29% | 96.90% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.08% | 97.00% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 82.97% | 96.67% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 82.77% | 86.67% |
| CHEMBL3238 | P23786 | Carnitine palmitoyltransferase 2 | 82.64% | 94.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.58% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.41% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.20% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.13% | 94.33% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.99% | 95.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.30% | 97.14% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.19% | 98.10% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 80.74% | 93.33% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.14% | 94.66% |
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 | 162815733 |
| LOTUS | LTS0078692 |
| wikiData | Q104197022 |