metabolite

Showing entry for Homoeriodictyol

Identification

PhytoHub ID
PHUB001105
Name
Homoeriodictyol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
302.2788
Monoisotopic Mass
302.07903818
Chemical Formula
C16H14O6
IUPAC Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
InChI Key
FTODBIPDTXRIGS-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3
SMILES
COC1=CC(=CC=C1O)C1CC(=O)C2=C(O1)C=C(O)C=C2O
Structure
MOLSDFPDBSMILESInChI

Calculated Properties

Solubility (ALOGPS)
1.33e-01 g/l
LogS (ALOGPS)
-3.36
LogP (ALOGPS)
2.53
Hydrogen Acceptors
6
Hydrogen Donors
3
Rotatable Bond Count
2
Polar Surface Area
96.22
Refractivity
77.753
Polarizability
30.178517278278925
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.620038760270414
pKa (strongest acidic)
7.862897701144629
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Precursor Taxonomy

PrecursorFamilyClassSub-class
EriocitrinPolyphenolsFlavonoidsFlavanonesShow Precursor
EriodictyolPolyphenolsFlavonoidsFlavanonesShow Precursor
HesperetinPolyphenolsFlavonoidsFlavanonesShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
EriocitrinLemonFruit, Citrus PublicationsShow
HesperetinLemonFruit, CitrusShow
EriocitrinLimeFruit, Citrus PublicationsShow
HesperetinLimeFruit, CitrusShow
HesperetinOrange juiceBeverages, Non-alcoholicShow
HesperetinSweet orangeFruit, CitrusShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Eriocitrin HomoeriodictyolraturineC16H14O6302.07903818 Publications
Eriodictyol HomoeriodictyolraturineC16H14O6302.07903818 Publications
Hesperetin Homoeriodictyolratplasma (minor)C16H14O6302.07903818 Publications
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