EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:141851 - (4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde

ChEBI IDCHEBI:141851
ChEBI Name(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde
Stars
ASCII Name(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde
DefinitionA sesquiterpenoid that is (S)-β-macrocarpen-15-ol in which the hydroxy group has been oxidised to an aldehyde group. The second step in the biosynthesis of the sesquiterpene phytoalexin zealexin A1 from (S)-β-macrocarpene in maize.
Last Modified26 October 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H22O
Net Charge0
Average Mass218.340
Monoisotopic Mass218.16707
SMILES[H][C@@]1(C2=CCCC(C)(C)C2)CC=C(C=O)CC1
InChIInChI=1S/C15H22O/c1-15(2)9-3-4-14(10-15)13-7-5-12(11-16)6-8-13/h4-5,11,13H,3,6-10H2,1-2H3/t13-/m1/s1
InChIKeyFITVEUXUZLYLPG-CYBMUJFWSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde (CHEBI:141851) has functional parent (S)-β-macrocarpen-15-ol (CHEBI:141850)
(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde (CHEBI:141851) is a aldehyde (CHEBI:17478)
(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde (CHEBI:141851) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S)-5',5'-dimethyl[1,1'-bi(cyclohexane)-1',3-diene]-4-carbaldehyde
Synonym  Source
(S)-β-macrocarpen-15-alChEBI
UniProt Name  Source
(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehydeUniProt
Manual XrefsDatabases
CPD-13627MetaCyc
Citations