Identification

PhytoHub ID
PHUB000994
Name
Limonene-10-ol-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-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-yl]oxy}oxane-2-carboxylic acid
InChI Key
UYTMBQNUNDXCOH-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H24O7/c1-8-3-5-10(6-4-8)9(2)7-22-16-13(19)11(17)12(18)14(23-16)15(20)21/h3,10-14,16-19H,2,4-7H2,1H3,(H,20,21)
SMILES
CC1=CCC(CC1)C(=C)COC1OC(C(O)C(O)C1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.35e+01 g/l
LogS (ALOGPS)
-1.39
LogP (ALOGPS)
0.43
Hydrogen Acceptors
7
Hydrogen Donors
4
Rotatable Bond Count
5
Polar Surface Area
116.45
Refractivity
80.53569999999999
Polarizability
34.011625845029556
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.6865000329949424
pKa (strongest acidic)
3.581747461443608
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Precursor Taxonomy

PrecursorFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Limonene Limonene-10-ol-glucuronidedog human rabbit raturineC16H24O7328.152203113 Publications
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