PhytoHub: Showing entry for Phloroglucinol

Phloroglucinol

Identification

PhytoHub ID

PHUB001126

Name

Phloroglucinol

Systematic Name

1,3,5-trihydroxybenzene

Synonyms

1,3,5-benzoltriol
1,3,5-trihydroxybenzene
1,3,5-trihydroxyphenol
benzene-1,3,5-triol

CAS Number

108-73-6

Average Mass

126.111

Monoisotopic Mass

126.031694053

Chemical Formula

C₆H₆O₃

IUPAC Name

benzene-1,3,5-triol

InChI Key

QCDYQQDYXPDABM-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H

SMILES

OC1=CC(O)=CC(O)=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 3.58e+01 g/l
LogS (ALOGPS): -0.55
LogP (ALOGPS): 0.25
Hydrogen Acceptors: 3
Hydrogen Donors: 3
Rotatable Bond Count: 0
Polar Surface Area: 60.69
Refractivity: 32.0007
Polarizability: 11.685180476962078
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -5.370308771902201
pKa (strongest acidic): 9.126324331505472
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

Taxonomy as Metabolite

Family: (Poly)phenol metabolites
Class: Phenolic acid metabolites
Sub-class: Benzoic and hippuric acids

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Eriodictyol	Polyphenols	Flavonoids	Flavanones	Show Food Phytochemical
Hesperetin	Polyphenols	Flavonoids	Flavanones	Show Food Phytochemical
Naringenin	Polyphenols	Flavonoids	Flavanones	Show Food Phytochemical
Quercetin	Polyphenols	Flavonoids	Flavonols	Show Food Phytochemical
Black tea Flavan-3-ols	Polyphenols	Flavonoids	Flavan-3-ols	Show Food Phytochemical

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Phenols
Super-class: Benzenoids
Sub-class: Benzenetriols and derivatives
Direct Parent Name: Phloroglucinols and derivatives
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Benzene and substituted derivatives", "Hydrocarbon derivatives", "Polyols"]
External Descriptor Annotations: ["a small molecule", "benzenetriol"]
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phloroglucinol derivative", "Polyol"]

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Quercetin	Acerola	Fruit, Tropical fruits	Publications	Show
Quercetin	American cranberry	Fruit, Berries	Publications	Show
Quercetin	Angelica	Herbs and Spices	Publications	Show
Quercetin	Apple	Fruit, Pomes	Publications	Show
Quercetin	Apple juice	Beverages, Non-alcoholic	Publications	Show
Quercetin	Black tea	Teas and herbal teas	Publications	Show
Quercetin	Blackberry	Fruit, Berries	Publications	Show
Quercetin	Broccoli	Vegetables, Cabbages	Publications	Show
Naringenin	Cherry tomato	Vegetables, Fruit vegetables	Publications	Show
Quercetin	Cherry tomato	Vegetables, Fruit vegetables	Publications	Show
Quercetin	European cranberry	Fruit, Berries	Publications	Show
Naringenin	Grapefruit	Fruit, Citrus	Publications	Show
Naringenin	Grapefruit juice	Beverages, Non-alcoholic	Publications	Show
Quercetin	Green tea	Teas and herbal teas	Publications	Show
Hesperetin	Lemon	Fruit, Citrus		Show
Quercetin	Lettuce	Vegetables, Leaf vegetables	Publications	Show
Hesperetin	Lime	Fruit, Citrus		Show
Quercetin	Onion	Vegetables, Onion-family	Publications	Show
Hesperetin	Orange juice	Beverages, Non-alcoholic		Show
Quercetin	Orange juice	Beverages, Non-alcoholic	Publications	Show
Quercetin	Parsnip	Vegetables, Root vegetables	Publications	Show
Hesperetin	Sweet orange	Fruit, Citrus		Show
Naringenin	Sweet orange	Fruit, Citrus	Publications	Show
Naringenin	Tomato	Vegetables, Fruit vegetables	Publications	Show
Quercetin	Tomato	Vegetables, Fruit vegetables	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food Phytochemical	Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
Eriodictyol	Phloroglucinol	in vitro (human)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₆H₆O₃	126.031694053		Publications
Hesperetin	Phloroglucinol	in vitro (pig)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₆H₆O₃	126.031694053		Publications
Naringenin	Phloroglucinol	in vitro (human)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₆H₆O₃	126.031694053		Publications
Quercetin	Phloroglucinol	in vitro (human)	duodenal juice	gut microbiota metabolite	Not Available	Not Available	Not Available	C₆H₆O₃	126.031694053		Publications
Black tea Flavan-3-ols	Phloroglucinol	human	urine	gut microbiota metabolite	Not Available	Not Available	<1%	C₆H₆O₃	126.031694053	Detailed Intervention Studies	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Phloroglucinol