LSR

1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene

Created:2008-04-17
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count39
Aromatic Bond Count0
2D diagram of LSR

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Chemical Component Summary

Name1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene
Systematic Name (OpenEye OEToolkits)1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene
FormulaC15 H24
Molecular Weight204.351
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04C(/C1=C(CCCC1(C)C)C)=C\C(=C\C)C
SMILESCACTVS3.341CC=C(C)C=CC1=C(C)CCCC1(C)C
SMILESOpenEye OEToolkits1.5.0CC=C(C)C=CC1=C(CCCC1(C)C)C
Canonical SMILESCACTVS3.341 C\C=C(C)\C=C\C1=C(C)CCCC1(C)C
Canonical SMILESOpenEye OEToolkits1.5.0 C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C
InChIInChI1.03 InChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+
InChIKeyInChI1.03 KUEVAPFABUUVHS-AYCKBHPDSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB08127 
Name1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene
Groups experimental
Synonyms1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Cellular retinoic acid-binding protein 2MPNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDT...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 15143646