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CHEBI:26 - (+)-iridodial lactol

ChEBI IDCHEBI:26
ChEBI Name(+)-iridodial lactol
Stars
DefinitionAn iridoid monoterpenoid that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted by methyl groups at positions 4 and 7 and a hydroxy group at position 1 (the 1R,4aS,7S,7aR-stereoisomer).
Last Modified6 September 2018
DownloadsMolfile
FormulaC10H16O2
Net Charge0
Average Mass168.236
Monoisotopic Mass168.11503
SMILES[H][C@]12[C@H](O)OC=C(C)[C@@]1([H])CC[C@@H]2C
InChIInChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-11H,3-4H2,1-2H3/t6-,8+,9+,10+/m0/s1
InChIKeyOJGPEAXUHQRLNC-JZKKDOLYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(+)-iridodial lactol (CHEBI:26) has role plant metabolite (CHEBI:76924)
(+)-iridodial lactol (CHEBI:26) is a iridoid monoterpenoid (CHEBI:50563)
(+)-iridodial lactol (CHEBI:26) is a lactol (CHEBI:38131)
IUPAC Name 
(1R,4aS,7S,7aR)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol
Synonym  Source
(+)-IridodialKEGG COMPOUND
UniProt Name  Source
(+)-cis-trans-nepetalactolUniProt
Manual XrefsDatabases
C09804KEGG COMPOUND
LMPR0102070017LIPID MAPS
C00003085KNApSAcK
Registry NumbersSources
Reaxys:1239016Reaxys
CAS:550-45-8KEGG COMPOUND