Identification

PhytoHub ID
PHUB000971
Name
Carveol glucuronide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
328.361
Monoisotopic Mass
328.152203113
Chemical Formula
C16H24O7
IUPAC Name
3,4,5-trihydroxy-6-{[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl]oxy}oxane-2-carboxylic acid
InChI Key
BVXOWZPSSZQRID-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H24O7/c1-7(2)9-5-4-8(3)10(6-9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h4,9-14,16-19H,1,5-6H2,2-3H3,(H,20,21)
SMILES
CC(=C)C1CC=C(C)C(C1)OC1OC(C(O)C(O)C1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.70e+01 g/l
LogS (ALOGPS)
-1.29
LogP (ALOGPS)
0.31
Hydrogen Acceptors
7
Hydrogen Donors
4
Rotatable Bond Count
4
Polar Surface Area
116.45
Refractivity
80.2765
Polarizability
33.22613598778844
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.68650735368272
pKa (strongest acidic)
3.5943515171523694
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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

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Carvone Carveol glucuronidehumanurineC16H24O7328.152203113 Publications
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