CHEBI:32304 - 2-cis,4-trans-xanthoxin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-cis,4-trans-xanthoxin
ChEBI ID CHEBI:32304
ChEBI ASCII Name 2-cis,4-trans-xanthoxin
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB7459063, eMolecules:729327, ZINC000001529372
Download Molfile XML SDF
Formula C15H22O3
Net Charge 0
Average Mass 250.33338
Monoisotopic Mass 250.15689
InChI InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6-/t12-,14+,15-/m0/s1
InChIKey ZTALKMXOHWQNIA-TVBSHJCBSA-N
SMILES CC(\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=O
Metabolite of Species Details
Pueraria montana (NCBI:txid132459) Found in leaf (BTO:0000713). See: PubMed
Roles Classification
Biological Role(s): plant growth retardant

plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-cis,4-trans-xanthoxin (CHEBI:32304) has role plant growth retardant (CHEBI:35219)
2-cis,4-trans-xanthoxin (CHEBI:32304) has role plant metabolite (CHEBI:76924)
2-cis,4-trans-xanthoxin (CHEBI:32304) is a apo carotenoid sesquiterpenoid (CHEBI:36758)
2-cis,4-trans-xanthoxin (CHEBI:32304) is a enal (CHEBI:51688)
IUPAC Name
(2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methylpenta-2,4-dienal
Synonyms Sources
2-cis,4-trans-xanthoxin UniProt
2-cis,4-trans-Xanthoxin KEGG COMPOUND
Xanthoxin KEGG COMPOUND
Manual Xrefs Databases
C00007240 KNApSAcK
C13453 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
26932-58-1 CAS Registry Number KEGG COMPOUND
8066-07-7 CAS Registry Number KEGG COMPOUND
Citation Type Source
12809718 PubMed citation Europe PMC
Last Modified
08 April 2016