Identification

PhytoHub ID
PHUB000973
Name
Carvonic acid
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
180.203
Monoisotopic Mass
180.078644246
Chemical Formula
C10H12O3
IUPAC Name
carvonic acid
InChI Key
BPJKNHQCPHBIAR-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H12O3/c1-6-3-4-8(5-9(6)11)7(2)10(12)13/h3,8H,2,4-5H2,1H3,(H,12,13)
SMILES
CC1=CCC(CC1=O)C(=C)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
5.73e+00 g/l
LogS (ALOGPS)
-1.50
LogP (ALOGPS)
1.53
Hydrogen Acceptors
3
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
54.37
Refractivity
48.8907
Polarizability
18.697646952615337
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-4.659876550719069
pKa (strongest acidic)
4.379810950293259
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Precursor Taxonomy

PrecursorFamilyClassSub-class
CarvoneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
CarvoneCarawayHerbs and Spices PublicationsShow
CarvoneDillHerbs and Spices PublicationsShow
CarvoneMandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Carvone Carvonic acidhumanurine (major)Not AvailableC10H12O3180.078644246 Publications
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