CHEBI:18451 - neoisomenthol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name neoisomenthol
ChEBI ID CHEBI:18451
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H20O
Net Charge 0
Average Mass 156.26520
Monoisotopic Mass 156.15142
InChI InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
InChIKey NOOLISFMXDJSKH-OPRDCNLKSA-N
SMILES CC(C)[C@H]1CC[C@@H](C)C[C@H]1O
Roles Classification
Biological Role(s): volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
(via p-menthan-3-ol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing neoisomenthol (CHEBI:18451) is a p-menthan-3-ol (CHEBI:25187)
IUPAC Name
rel-(1R,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol
Synonyms Sources
(1α,2α,5α)-5-methyl-2-(1-methylethyl)cyclohexanol NIST Chemistry WebBook
cis-1,3,cis-1,4-menthol NIST Chemistry WebBook
iso-neomenthol NIST Chemistry WebBook
Registry Numbers Types Sources
491-02-1 CAS Registry Number NIST Chemistry WebBook
491-02-1 CAS Registry Number ChemIDplus
Last Modified
23 October 2015
General Comment
2007-09-24 Relative stereochemistry. Structures shown correspond with those of the (1R,2R,5R) absolute configuration.