8-Epi-Malyngamide C
| Internal ID | 9b660e0d-be5e-45e3-91fa-43206252913a |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (E,7S)-N-[(Z)-3-chloro-2-[(1S,5R,6S)-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]heptan-1-yl]prop-2-enyl]-7-methoxytetradec-4-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H38ClNO5/c1-3-4-5-6-8-11-19(30-2)12-9-7-10-13-22(29)26-17-18(16-25)24-21(28)15-14-20(27)23(24)31-24/h7,9,16,19-20,23,27H,3-6,8,10-15,17H2,1-2H3,(H,26,29)/b9-7+,18-16-/t19-,20+,23-,24+/m0/s1 |
| InChI Key | WXDBUBIFYCCNLE-FTWIAXFRSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C24H38ClNO5 |
| Molecular Weight | 456.00 g/mol |
| Exact Mass | 455.2438510 g/mol |
| Topological Polar Surface Area (TPSA) | 88.20 Ų |
| XlogP | 4.00 |
| DTXSID401236365 |
| (E,7S)-N-((Z)-3-chloro-2-((1S,5R,6S)-5-hydroxy-2-oxo-7-oxabicyclo(4.1.0)heptan-1-yl)prop-2-enyl)-7-methoxytetradec-4-enamide |
| (E,7S)-N-[(Z)-3-chloro-2-[(1S,5R,6S)-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]heptan-1-yl]prop-2-enyl]-7-methoxytetradec-4-enamide |
| RefChem:107076 |
| DTXCID101667537 |
| (E,7S)-N-((Z)-3-chloro-2-((1S,2R,6S)-2-hydroxy-5-oxo-7-oxabicyclo(4.1.0)heptan-6-yl)prop-2-enyl)-7-methoxytetradec-4-enamide |
| CHEMBL1079695 |
| CHEBI:198223 |
| (4E,7S)-N-{(2Z)-3-Chloro-2-[(1S,5R,6S)-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]heptan-1-yl]prop-2-en-1-yl}-7-methoxytetradec-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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.51% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.20% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.01% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.38% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.68% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.75% | 96.09% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 94.74% | 95.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 93.43% | 98.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 92.95% | 92.88% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.89% | 97.29% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 91.76% | 94.66% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 91.71% | 96.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.63% | 92.50% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 90.44% | 86.67% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.10% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.74% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.56% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.57% | 99.23% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.39% | 96.61% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.54% | 93.56% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 86.29% | 96.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.09% | 95.50% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 84.61% | 95.36% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.60% | 91.81% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.73% | 92.62% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 83.62% | 96.67% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.45% | 100.00% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 83.40% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.12% | 95.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.04% | 92.86% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 82.59% | 89.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.65% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.57% | 91.19% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.92% | 97.50% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.21% | 85.30% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.11% | 90.08% |
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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| PubChem | 45379966 |
| LOTUS | LTS0131193 |
| wikiData | Q75058913 |