Identification

PhytoHub ID
PHUB000033
Name
Carvone
Systematic Name
Not Available
Synonyms
  • Carvol
CAS Number
Not Available
Average Mass
150.221
Monoisotopic Mass
150.104465071
Chemical Formula
C10H14O
IUPAC Name
2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
InChI Key
ULDHMXUKGWMISQ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
SMILES
CC(=C)C1CC=C(C)C(=O)C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.16e+00 g/l
LogS (ALOGPS)
-2.11
LogP (ALOGPS)
2.77
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
1
Polar Surface Area
17.07
Refractivity
47.1735
Polarizability
17.63972538948838
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.655503656223822
pKa (strongest acidic)
Not Available
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP005801MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005802MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006601MassBankEI-B Spectrum - -, [M]+*View Spectra

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Carvone Carveolhumanurine (minor)C10H16O152.120115135 Publications
Carvone Carveol glucuronidehumanurineC16H24O7328.152203113 Publications
Carvone Dihydrocarveolhumanurine (minor)C10H18O154.1357652 Publications
Carvone Carvonic acidhumanurine (major)C10H12O3180.078644246 Publications
Carvone Dihydrocarvonic acidhumanurine (major)C10H14O3182.094294311 Publications
Carvone Uroterpenolonehumanurine (major)C10H16O3184.109944375 Publications
Limonene Carvonedog guinea pig rabbiturineC10H14O150.104465071 Publications
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