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3371-27-5

3371-27-5 Structure

3371-27-5 Structure
IdentificationBack Directory
[Name]

(-)-GALLOCATECHIN
[CAS]

3371-27-5
[Synonyms]

(-)-GC
Casuarin
GALLOCATECHIN
l-Gallocatechin
(-)-GALLOCATECHIN
Gallocatechin(GC)
GC/(-)-gallocatechin
(-)-Gallocatechin/GC
(2S,3R)-gallocatechin
GALLOCATECHIN, (-)-(SH)
(-)-GALLOCATECHIN USP/EP/BP
(+/-)-Gallocatechin-2,3,4-13C3
(-)-Gallocatechin, froM green tea
(+)-Gallocatechin, Cas No 970-73-0
(-)-Gallocatechin, 98%, from green tea
N-Ethyl-2-naphthylamineHydrobromide>
(2S,3R)-2-(3,4,5-Trihydroxyphenyl)-chroman-3,5,7-triol
(2S,3R)-3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol
[2S,3R]-2-[3,4,5-TRIHYDROXYPHENYL]-3,4-DIHYDRO-1[2H]-BENZOPYRAN-3,5,7-TRIOL
(2S-trans)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol
2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2S,3R)-
()-Gallocatechin,(2S,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol
[Molecular Formula]

C15H14O7
[MDL Number]

MFCD01632616
[MOL File]

3371-27-5.mol
[Molecular Weight]

306.27
Chemical PropertiesBack Directory
[Melting point ]

200℃
[Boiling point ]

685.6±55.0 °C(Predicted)
[density ]

1.695±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

H2O: 5 mg/mL with brief sonication
[form ]

Solid
[pka]

9.02±0.15(Predicted)
[color ]

Pale Grey
[Water Solubility ]

H2O: 5mg/mL (he at 2-10 min at 105C)
alcohol: soluble
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChI]

InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1
[InChIKey]

XMOCLSLCDHWDHP-DOMZBBRYSA-N
[SMILES]

[C@@H]1(C2=CC(O)=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C2C[C@H]1O
[LogP]

-0.100 (est)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

An antioxidant with free radical scavenging ability; a potential cancer chemopreventive agent. It inhibits the growth and adherence of P. gingivalis onto the buccal epithelial cells. An epimer of (-)- Epigallocatechin (E588940).
[Definition]

ChEBI: (-)-gallocatechin is a a gallocatechin that has (2S,3R)-configuration. It has a role as an antioxidant, a radical scavenger and a metabolite. It is an enantiomer of a (+)-gallocatechin.
[General Description]

Gallocatechin belongs to the catechin class of organic compounds and is one of the major components of green tea. The beneficial effects of catechins include anti-tumorigenic, anti-mutagenic, anti-pathogenic, and anti-oxidative properties.
[Biochem/physiol Actions]

(?)-Gallocatechin (GC) exerts antioxidant properties by scavenging free radicals. It can also inhibit osteoclastgenesis. GC elicits antimutagenic activity in Escherichia coli against ultraviolet (UV)-induced mutation. It also displays an inhibitory effect on the growth and adherence of?Porphyromonas gingivalis?in the buccal epithelial cells.
[target]

ROS
Spectrum DetailBack Directory
[Spectrum Detail]

(-)-GALLOCATECHIN(3371-27-5)1HNMR
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