Carvone
precursor
Showing entry for Carvone
Identification
- PhytoHub ID
- PHUB000033
- Name
- Carvone
- Systematic Name
- p-mentha-1,8-die-6-ona
- 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
Structure for Carvone
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
External Links
- ChEBI
- 38265
- PubChem
- 7439
- Chemistry Dashboard
- DTXSID8047426
- MetaboLights
- MTBLC38265
- PeakForestCompound
- 000028
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- acyclic
Taxonomy as Metabolite
- Metabolite Family
- Terpenoid metabolites
- Metabolite Class
- Monoterpenoid metabolites
- Metabolite Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Limonene | Terpenoids | Monoterpenoids | Not Available | Show Food Phytochemical |
Spectra from Phytohub
Food Sources
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found