Identification

PhytoHub ID
PHUB002656
Name
Cocoa Flavan-3-ols
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
Not Available
Monoisotopic Mass
Not Available
Chemical Formula
Not Available
IUPAC Name
Not Available
InChI Key
Not Available
InChI Identifier
Not Available
SMILES
Not Available
Structure
No structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
Not Available
Hydrogen Donors
Not Available
Rotatable Bond Count
Not Available
Polar Surface Area
Not Available
Refractivity
Not Available
Polarizability
Not Available
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavan-3-ols

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Cocoa Flavan-3-ols 3-Hydroxybenzoic acidhumanurinegut microbiota metaboliteNot AvailableNot Available<1%C7H6O3138.031694053 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols Protocatechuic acidhumanurinegut microbiota metaboliteNot AvailableNot Available<1%C7H6O4154.026608673 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 3',4'-Dihydroxyphenylacetic acidhumanurinegut microbiota metaboliteNot AvailableNot Available1-5%C8H8O4168.042258738 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols Dihydrocaffeic acidhumanurinegut microbiota metaboliteNot AvailableNot Available<1%C9H10O4182.057908802 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols Ferulic acidhumanurinehost-gut microbiota co-metaboliteNot AvailableNot Available<1%C10H10O4194.057908802 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols Homovanillic acidhumanurinehost-gut microbiota co-metaboliteNot AvailableNot Available<1%C9H10O4182.057908802 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols Isoferulic acidNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H10O4194.057908802 Detailed Intervention Studies
Cocoa Flavan-3-ols (-)-Epicatechin 3'-O-glucuronidehumanplasma, urinehost metabolism1h-3h200-500 nmol/L<1%C21H22O12466.111126148 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols (-)-Epicatechin 3'-O-sulfatehumanplasmahost metabolism1h-3h50-200 nmol/LNot AvailableC15H14O9S370.035853205 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols (Epi)catechin O-glucuronidehumanplasma, urinehost metabolism1h-3h50-200 nmol/LNot AvailableC21H22O12466.3989068 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols (Epi)catechin O-sulfatehumanplasma, urinehost metabolism1h-3h50-200 nmol/L1-5%C15H14O9S370.335352 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 3-(3'-Hydroxyphenyl)propionic acidhumanurinegut microbiota metaboliteNot AvailableNot Available<1%C9H10O3166.062994182 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 3'-Hydroxyphenylacetic acidhumanurinegut microbiota metaboliteNot AvailableNot Available1-5%C8H8O3152.047344118 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 3'-O-Methyl-(-)-epicatechin 5-O-sulfatehumanplasmahost metabolism1h-3h50-200 nmol/LNot AvailableC16H16O9S384.051503269 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 3'-O-Methyl-(-)-epicatechin 7-O-sulfatehumanplasmahost metabolism1h-3h50-200 nmol/LNot AvailableC16H16O9S384.051503269 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 5-(3',4'-dihydroxyphenyl)-gamma-valerolactonehumanplasma, urinegut microbiota metabolite3h-5h20-50 nmol/L<1%C11H12O4208.073558866 Publications
Cocoa Flavan-3-ols 3-Hydroxyhippuric acidhumanurinehost-gut microbiota co-metaboliteNot AvailableNot Available<1%C9H9NO4195.053157774 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols Dihydroferulic acidhumanurinehost-gut microbiota co-metaboliteNot AvailableNot Available<1%C10H12O4196.073558866 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols (Epi)catechinhumanserum, urinehost metabolismNot AvailableNot Available<1%C15H14O6290.079038171 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 5-(3'-Hydroxyphenyl)-gamma-valerolactonehumanurinegut microbiota metaboliteNot AvailableNot Available<1%C11H12O3192.078644246 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 4-Hydroxyhippuric acidhumanurinehost-gut microbiota co-metaboliteNot AvailableNot Available1-5%C9H9NO4195.053157774 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 5-(Phenyl)-gamma-valerolactone-3'-sulfatehumanplasma, urinehost-gut microbiota co-metabolite5h-8h20-50 nmol/L1-5%C11H12O6S272.03545928 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfatehumanplasma, urinehost-gut microbiota co-metabolite5h-8h20-50 nmol/L1-5%C11H14O8S306.040938585 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 5-(3',4'-dihydroxyphenyl)-γ-valerolactoneNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC11H12O4208.073558866 Detailed Intervention Studies
Cocoa Flavan-3-ols 5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfatehumanplasma, urinehost-gut microbiota co-metabolite5h-8h200-500 nmol/L10-30%C11H12O7S288.0303739 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronidehumanplasma, urinehost-gut microbiota co-metabolite5h-8h50-200 nmol/L1-5%C17H20O10384.105646844 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols (−)-Epicatechin-sulfatehumanurinehost metabolismNot AvailableNot Available<1% Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 5-(Phenyl)-γ-valerolactone-sulfate-glucuronidehumanurinehost-gut microbiota co-metaboliteNot AvailableNot Available10-30% Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 5-(Phenyl)-γ-valerolactone-methoxy-glucuronidehumanplasma, urinehost-gut microbiota co-metabolite5h-8h20-50 nmol/L<1% Detailed Intervention Studies Publications
Cocoa Flavan-3-ols Methoxy-(epi)catechin-sulfatehumanurinehost metabolismNot AvailableNot Available1-5% Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 5-(Hydroxyphenyl)-γ-valerolactone-sulfatehumanplasma, urinehost-gut microbiota co-metabolite5h-8h50-200 nmol/LNot Available Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 5-(Phenyl)-γ-valerolactone-methoxy-sulfatehumanurinehost-gut microbiota co-metaboliteNot AvailableNot Available<1% Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 5-(Phenyl)-γ-valerolactone-3′-glucuronidehumanurinehost-gut microbiota co-metaboliteNot AvailableNot Available5-10%C17H20O9368.110732224 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols (Epi)catechin-sulfate-glucuronidehumanurinehost metabolismNot AvailableNot Available1-5% Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 5-(3′-Hydroxyphenyl)-γ-valerolactone-4′-glucuronidehumanplasma, urinehost-gut microbiota co-metaboliteNot AvailableNot Available5-10%C17H20O10384.105646844 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronidehumanurinehost-gut microbiota co-metaboliteNot AvailableNot Available<1%C17H22O11402.116211528 Detailed Intervention Studies Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
Cocoa Flavan-3-ols 3-Hydroxybenzoic acidMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols Protocatechuic acidMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols 3',4'-Dihydroxyphenylacetic acidMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols Dihydrocaffeic acidMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols Ferulic acidMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols Homovanillic acidMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols (-)-Epicatechin 3'-O-glucuronideAgeDiscordant Publications
Cocoa Flavan-3-ols (-)-Epicatechin 3'-O-sulfateAgeDiscordant Publications
Cocoa Flavan-3-ols 3-(3'-Hydroxyphenyl)propionic acidMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols 3'-Hydroxyphenylacetic acidMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols 3'-O-Methyl-(-)-epicatechin 5-O-sulfateAgeDiscordant Publications
Cocoa Flavan-3-ols 3'-O-Methyl-(-)-epicatechin 7-O-sulfateAgeDiscordant Publications
Cocoa Flavan-3-ols 5-(3',4'-dihydroxyphenyl)-gamma-valerolactoneMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols 3-Hydroxyhippuric acidMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols Dihydroferulic acidMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols 5-(3'-Hydroxyphenyl)-gamma-valerolactoneMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols 4-Hydroxyhippuric acidMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols 5-(Phenyl)-gamma-valerolactone-3'-sulfateMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols 4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfateMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols 5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfateMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronideMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols 5-(Phenyl)-γ-valerolactone-methoxy-glucuronideMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols 5-(Phenyl)-γ-valerolactone-methoxy-sulfateMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols 5-(Phenyl)-γ-valerolactone-3′-glucuronideMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols 5-(3′-Hydroxyphenyl)-γ-valerolactone-4′-glucuronideMicrobiotaEffect, clusters Publications
Cocoa Flavan-3-ols 4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronideMicrobiotaEffect, clusters Publications
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