에필갈로카테킨

Epigallocatechin

HCID 72277CAS 970-74-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2
InChIKey
XMOCLSLCDHWDHP-IUODEOHRSA-N
분자식
C15H14O7
평균 분자량
306.27 g/mol
단동위원소 질량
306.07395279

개요

(-)-epigallocatechin is a flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration. It has a role as an antioxidant, a plant metabolite and a food component. It is a catechin and a flavan-3,3',4',5,5',7-hexol. It is an enantiomer of a (+)-epigallocatechin.

이름 및 식별자

우선 이름
Epigallocatechin
IUPAC
(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
현지명
에필갈로카테킨
영어명
(-)-Epigallocatechin
분자식
C15H14O7
분자량
306.27

이름 및 동의어

(-)-EpigallocatechinEpigallocatechin970-74-1EpigallocatecholL-Epigallocatechinepi-GallocatechinAntiscurvy factor C2(-)-EpigallocatecholGalloepicatechin3,3',4',5,5',7-Flavanhexol(-)-epi-GallocatechinSunphenon EGC
이름 더 보기
에필갈로카테킨(-)-에피갈로카테킨epi-l-Epigallocatechol(-)-EGC, ≥98%(HPLC)(+)-Epigallocatechin(2R)-3,4-Dihydro-2α-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3α,5,7-triolTFPI1(-)-EGCNSC 674039
(-)-3,3',4',5,5',7-Flavanhexol2,3-cis-epigallocatechin(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol7Z197MG6QLNSC-674039(2R,3R)-2-(3,4,5-trihydroxyphenyl)chroman-3,5,7-triolCHEBI:42255DTXSID40891550

데이터베이스 식별자

CAS
970-74-1
PubChem CID
72277
DTXSID
DTXSID40891550
ChEMBL
CHEMBL47386
ChEBI
CHEBI:42255
UNII
7Z197MG6QL
EC Number
619-254-4
Nikkaji
J277.681B

물성

구조 계산 물성

XLogP
0
극성 표면적
131 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
7
회전 가능 결합 수
1
무거운 원자 수
22

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavans, Flavanols and Leucoanthocyanidins [PK1202]
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point219 - 221 °C
Physical DescriptionSolid
Collision Cross Section · 2건

165.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

152.21 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
208 · 208-210°C
끓는 점
685.6 · 685.6±55.0 °C(Predicted)
밀도
1.695 · 1.695±0.06 g/cm3(Predicted)
저장 조건
-20 °C · -20°C
용해도
아세톤(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체

화학적 성질

white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (25%)

안전 데이터

wgk
3
rtecs
KB5100000
HS 번호
29329990
safety_code
24/25
F 고인화성물질
3-10
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Metabolism/Metabolites(-)-Epigallocatechin has known human metabolites that include (-)-Epigallocatechin, 3p-hydroxy-glucuronide.
Cellular LocationsCytoplasm

응용 분야

용도antineoplastic

일반 설명()-Epigallocatechin (EGC) belongs to the tea catechins group of polyphenols.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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