Malyngamide R
| Internal ID | 83e396fd-3910-4098-8947-edf4a830b075 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | (E,7S)-N-[(E,2Z)-2-(chloromethylidene)-6-[(2R)-2-(hydroxymethyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]-4-methoxy-6-oxohex-4-enyl]-7-methoxy-N-methyltetradec-4-enamide |
| SMILES (Canonical) | CCCCCCCC(CC=CCCC(=O)N(C)CC(=CCl)CC(=CC(=O)N1C(C(=CC1=O)OC)CO)OC)OC |
| SMILES (Isomeric) | CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C\Cl)/C/C(=C\C(=O)N1[C@@H](C(=CC1=O)OC)CO)/OC)OC |
| InChI | InChI=1S/C30H47ClN2O7/c1-6-7-8-9-11-14-24(38-3)15-12-10-13-16-28(35)32(2)21-23(20-31)17-25(39-4)18-29(36)33-26(22-34)27(40-5)19-30(33)37/h10,12,18-20,24,26,34H,6-9,11,13-17,21-22H2,1-5H3/b12-10+,23-20-,25-18+/t24-,26+/m0/s1 |
| InChI Key | NMCDAOMWRMOQIT-NFXWNFFPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H47ClN2O7 |
| Molecular Weight | 583.20 g/mol |
| Exact Mass | 582.3071795 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 4.30 |
| DTXSID501046911 |
| (E,7S)-N-[(E,2Z)-2-(chloromethylidene)-6-[(2R)-2-(hydroxymethyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]-4-methoxy-6-oxohex-4-enyl]-7-methoxy-N-methyltetradec-4-enamide |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.69% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.48% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.12% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.39% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.04% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.84% | 94.75% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.80% | 97.29% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.36% | 90.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.60% | 92.86% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.01% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.42% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.77% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.75% | 92.88% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 86.07% | 96.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.82% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.70% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.75% | 91.81% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.88% | 92.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.38% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.23% | 98.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.20% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.88% | 93.56% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.46% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.44% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.85% | 94.73% |
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 | 21606577 |
| LOTUS | LTS0232773 |
| wikiData | Q77422651 |