AUK

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Summary

Name:1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1H)-one
Synonyms:Aurachin C
Formula:C25 H33 N O2
Formal charge:0
Molecular weight:379.535 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1H)-one
OpenEye OEToolkits1.5.01-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]quinolin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2c1c(cccc1)N(O)C(=C2C\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)C
SMILES_CANONICALCACTVS3.341CC(C)=CCCC(/C)=C/CCC(/C)=C/CC1=C(C)N(O)c2ccccc2C1=O
SMILESCACTVS3.341CC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)N(O)c2ccccc2C1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1=C(C(=O)c2ccccc2N1O)C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
SMILESOpenEye OEToolkits1.5.0CC1=C(C(=O)c2ccccc2N1O)CC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI1.03InChI=1S/C25H33NO2/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26(28)24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16,28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+
InChIKeyInChI1.03FIHXCHBEHLCXEG-YEFHWUCQSA-N
169963
PDB entries from 2020-10-14