(-)-trans-Carveol (CHEM029034)

Record Information
Version1.0
Creation Date2016-05-26 00:52:38 UTC
Update Date2026-04-05 19:13:00 UTC
Accession NumberCHEM029034
Identification
Common Name(-)-trans-Carveol
ClassSmall Molecule
Description
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
(-)-(4R,6S)-trans-CarveolChEBI
(1S,5R)-CarveolChEBI
CarveolHMDB
(-)-(4R,6S)-CarveolHMDB
(1S,5R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-olHMDB
(e)-CarveolHMDB
(±)-trans-carveolHMDB
trans-(-)-CarveolHMDB
trans-5-(1-Methylethenyl)-2-methyl-2-cyclohexenolHMDB
trans-CarveolHMDB
trans-Mentha-1,8-dien-6-olHMDB
(-)-trans-CarveolHMDB
Chemical FormulaC10H16O
Average Molecular Mass152.233 g/mol
Monoisotopic Mass152.120 g/mol
CAS Registry Number2102-58-1
IUPAC Name(1S,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol
Traditional Name(-)-trans-carveol
SMILESCC(=C)[C@@H]1CC=C(C)[C@@H](O)C1
InChI IdentifierInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1
InChI KeyBAVONGHXFVOKBV-ZJUUUORDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassMonoterpenoids
Direct ParentMenthane monoterpenoids
Alternative Parents
Substituents
  • P-menthane monoterpenoid
  • Monocyclic monoterpenoid
  • Secondary alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility2.82 g/LALOGPS
logP2.41ALOGPS
logP1.99ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)18.21ChemAxon
pKa (Strongest Basic)-1.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity48 m³·mol⁻¹ChemAxon
Polarizability18 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0003450
FooDB IDFDB013717
Phenol Explorer IDNot Available
KNApSAcK IDC00000814
BiGG ID36494
BioCyc IDNot Available
METLIN ID6934
PDB IDNot Available
Wikipedia LinkCarveol
Chemspider ID85031
ChEBI ID15389
PubChem Compound ID94221
Kegg Compound IDC00964
YMDB IDNot Available
ECMDB IDECMDB23868
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Wouter, Adrian Duetz; Witholt, Bernard; Jourdat, Catherine. Process for the preparation of trans-carveol. Eur. Pat. Appl. (2002), 12 pp.