Identification

PhytoHub ID
PHUB000971
Name
Carveol glucuronide
Systematic Name
Not Available
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-ylidene]oxy}oxane-2-carboxylic acid
InChI Key
BVXOWZPSSZQRID-UHFFFAOYNA-N
InChI Identifier
InChI=1/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
33.92823239440962
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.6865073536827206
pKa (strongest acidic)
3.5943515171523694
Number of Rings
2
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 Carveol glucuronidehumanurineNot AvailableC16H24O7328.152203113 Publications
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