(3R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[[(3S,6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]amino]pentan-2-yl]amino]-2-oxoethyl]-3-hydroxyhexadecanamide
| Internal ID | c5d7fed0-b694-45c3-ad05-a1b10afc08a3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (3R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[[(3S,6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]amino]pentan-2-yl]amino]-2-oxoethyl]-3-hydroxyhexadecanamide |
| SMILES (Canonical) | CCCCCCCCCCCCCC(CC(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC1CCCCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCCCN)CCCCN)CCCCN)CCCCN)O |
| SMILES (Isomeric) | CCCCCCCCCCCCC[C@H](CC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCCCN)CCCCN)CCCCN)CCCCN)O |
| InChI | InChI=1S/C54H105N15O9/c1-2-3-4-5-6-7-8-9-10-11-12-24-39(70)37-46(71)63-38-47(72)64-41(30-23-36-62-54(59)60)49(74)66-45-29-17-22-35-61-48(73)40(25-13-18-31-55)65-50(75)42(26-14-19-32-56)67-51(76)43(27-15-20-33-57)68-52(77)44(69-53(45)78)28-16-21-34-58/h39-45,70H,2-38,55-58H2,1H3,(H,61,73)(H,63,71)(H,64,72)(H,65,75)(H,66,74)(H,67,76)(H,68,77)(H,69,78)(H4,59,60,62)/t39-,40+,41+,42-,43-,44+,45-/m1/s1 |
| InChI Key | OGEUBMFDYZFRJF-LYASGPROSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C54H105N15O9 |
| Molecular Weight | 1108.50 g/mol |
| Exact Mass | 1107.82196999 g/mol |
| Topological Polar Surface Area (TPSA) | 422.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (3R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[[(3S,6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]amino]pentan-2-yl]amino]-2-oxoethyl]-3-hydroxyhexadecanamide](https://plantaedb.com/storage/docs/compounds/2023/11/45486a80-838a-11ee-9467-ab46a7106706.jpg "2D Structure of (3R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[[(3S,6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]amino]pentan-2-yl]amino]-2-oxoethyl]-3-hydroxyhexadecanamide")
| 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 | 99.66% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.84% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.81% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.47% | 94.45% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.40% | 89.63% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 97.33% | 95.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.23% | 97.09% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 95.32% | 92.88% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.88% | 97.29% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 94.87% | 90.24% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 94.78% | 97.23% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 94.74% | 96.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.60% | 99.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 93.96% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.84% | 90.71% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 93.70% | 94.66% |
| CHEMBL236 | P41143 | Delta opioid receptor | 93.63% | 99.35% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 93.12% | 98.33% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 92.71% | 98.05% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 92.58% | 96.67% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.94% | 93.10% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 91.91% | 93.18% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.74% | 100.00% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 91.42% | 94.55% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 90.51% | 88.42% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.38% | 93.56% |
| CHEMBL204 | P00734 | Thrombin | 89.84% | 96.01% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 89.37% | 89.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.01% | 90.17% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 88.96% | 99.52% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.88% | 100.00% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 88.84% | 96.33% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 88.09% | 96.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.82% | 82.69% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 87.56% | 82.86% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.03% | 93.03% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 86.77% | 98.24% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 86.64% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.58% | 90.08% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.13% | 91.81% |
| CHEMBL4608 | P33032 | Melanocortin receptor 5 | 86.10% | 97.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 86.02% | 95.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 85.01% | 80.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.88% | 89.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.81% | 97.25% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 83.83% | 80.71% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 83.66% | 98.94% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.98% | 100.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.88% | 90.20% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.45% | 96.47% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.26% | 93.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.24% | 94.33% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 82.23% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.69% | 98.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.00% | 96.90% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.43% | 96.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.24% | 97.64% |
| CHEMBL1801 | P00747 | Plasminogen | 80.00% | 92.44% |
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 | 53382323 |
| LOTUS | LTS0084945 |
| wikiData | Q77515069 |