CHEBI:67266 - 3-hydroxy-α-ionone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-hydroxy-α-ionone
ChEBI ID CHEBI:67266
ChEBI ASCII Name 3-hydroxy-alpha-ionone
Definition An apo carotenoid monoterpenoid that is α-ionone with a hydroxy substituent at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Supplier Information
Download Molfile XML SDF
Formula C13H20O2
Net Charge 0
Average Mass 208.29670
Monoisotopic Mass 208.14633
InChI InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,11-12,15H,8H2,1-4H3/b6-5+
InChIKey FDSNVAKZRJLMJN-AATRIKPKSA-N
SMILES CC(=O)\C=C\C1C(C)=CC(O)CC1(C)C
ChEBI Ontology
Outgoing 3-hydroxy-α-ionone (CHEBI:67266) has functional parent α-ionone (CHEBI:32319)
3-hydroxy-α-ionone (CHEBI:67266) is a apo carotenoid monoterpenoid (CHEBI:49247)
3-hydroxy-α-ionone (CHEBI:67266) is a enone (CHEBI:51689)
3-hydroxy-α-ionone (CHEBI:67266) is a methyl ketone (CHEBI:51867)
3-hydroxy-α-ionone (CHEBI:67266) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3E)-4-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Registry Number Type Source
10339356 Reaxys Registry Number Reaxys
Last Modified
24 September 2012