CHEBI:145562 - 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane
ChEBI ID CHEBI:145562
Definition An oxabicycloalkane that is 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-ol in which the hydroxy group is substituted by a (2-methylphenyl)methoxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H26O2
Net Charge 0
Average Mass 274.404
Monoisotopic Mass 274.19328
InChI InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3
InChIKey QMTNOLKHSWIQBE-UHFFFAOYSA-N
SMILES C1C2(C(CC(C(C)C)(C1)O2)OCC3=C(C=CC=C3)C)C
Roles Classification
Biological Role(s): volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
(via cineole )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:145562) is a cineole (CHEBI:23243)
1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:145562) is a ether (CHEBI:25698)
1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:145562) is a oxabicycloalkane (CHEBI:46733)
Incoming exo-(−)-cinmethylin (CHEBI:145564) is a 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:145562)
exo-(+)-cinmethylin (CHEBI:145563) is a 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:145562)
IUPAC Name
1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane
Synonym Source
1-methyl-2-[(2-methylphenyl)methoxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane IUPAC
Last Modified
03 December 2019
General Comment
2019-12-03 This is material with unspecified stereochemistry. There are separate entries for the racemate (cinmethylin) and the individual enantiomers.