Jamaicamide C

Details

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Internal ID fc7f0555-f77d-472c-a7bf-7f18e3660529
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
IUPAC Name (4E,9E)-9-(chloromethylidene)-N-[(E)-3-methoxy-5-(2-methyl-5-oxo-2H-pyrrol-1-yl)-5-oxopent-3-enyl]-6-methyltetradeca-4,13-dienamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C27H39ClN2O4/c1-5-6-7-11-23(20-28)15-13-21(2)10-8-9-12-25(31)29-18-17-24(34-4)19-27(33)30-22(3)14-16-26(30)32/h5,8,10,14,16,19-22H,1,6-7,9,11-13,15,17-18H2,2-4H3,(H,29,31)/b10-8+,23-20+,24-19+
InChI Key PRVBXXHHHXSICY-GDKFLGFMSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C27H39ClN2O4
Molecular Weight 491.10 g/mol
Exact Mass 490.2598354 g/mol
Topological Polar Surface Area (TPSA) 75.70 Ų
XlogP 5.40

Synonyms

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DTXSID401043869
(4E,9E)-9-(chloromethylidene)-N-[(E)-3-methoxy-5-(2-methyl-5-oxo-2H-pyrrol-1-yl)-5-oxopent-3-enyl]-6-methyltetradeca-4,13-dienamide

2D Structure

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2D Structure of Jamaicamide C

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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 96.91% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.49% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.52% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.18% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.29% 94.45%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 91.76% 89.34%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.63% 97.25%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 88.28% 90.71%
CHEMBL3492 P49721 Proteasome Macropain subunit 87.14% 90.24%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 85.67% 96.47%
CHEMBL4208 P20618 Proteasome component C5 85.34% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.93% 96.00%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 84.91% 92.88%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 84.39% 94.33%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 82.49% 95.71%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.55% 100.00%
CHEMBL1744525 P43490 Nicotinamide phosphoribosyltransferase 81.44% 96.25%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.42% 91.07%
CHEMBL3401 O75469 Pregnane X receptor 80.27% 94.73%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 21589267
LOTUS LTS0219298
wikiData Q105213931