AUK

1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1H)-one

Created: 2009-04-17
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count0
Bond Count62
Aromatic Bond Count6
2D diagram of AUK
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Chemical Component Summary

Name1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1H)-one
SynonymsAurachin C
Systematic Name (OpenEye OEToolkits)1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]quinolin-4-one
FormulaC25 H33 N O2
Molecular Weight379.535
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C2c1c(cccc1)N(O)C(=C2C\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)C
SMILESCACTVS3.341CC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)N(O)c2ccccc2C1=O
SMILESOpenEye OEToolkits1.5.0CC1=C(C(=O)c2ccccc2N1O)CC=C(C)CCC=C(C)CCC=C(C)C
Canonical SMILESCACTVS3.341 CC(C)=CCCC(/C)=C/CCC(/C)=C/CC1=C(C)N(O)c2ccccc2C1=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC1=C(C(=O)c2ccccc2N1O)C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
InChIInChI1.03 InChI=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+
InChIKeyInChI1.03 FIHXCHBEHLCXEG-YEFHWUCQSA-N

Related Resource References

Resource NameReference
PubChem 6439171
ChEMBL CHEMBL572434
ChEBI CHEBI:90888