Epigallocatechin

HCID 72277CAS 970-74-1
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Grundinformationen

Standard-SMILES
Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2
InChIKey
XMOCLSLCDHWDHP-IUODEOHRSA-N
Summenformel
C15H14O7
Durchschnittliche Molmasse
306,27 g/mol
Monoisotopische Masse
306,07395279

Überblick

(-)-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.

Namen und Bezeichner

Bevorzugter Name
Epigallocatechin
IUPAC
(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Englischer Name
(-)-Epigallocatechin
Summenformel
C15H14O7
Molmasse
306.27

Namen und Synonyme

(-)-EpigallocatechinEpigallocatechin970-74-1EpigallocatecholL-Epigallocatechinepi-GallocatechinAntiscurvy factor C2(-)-EpigallocatecholGalloepicatechin3,3',4',5,5',7-Flavanhexol(-)-epi-GallocatechinSunphenon EGC
Weitere Namen anzeigen
epi-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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0
Polarare Oberfläche (TPSA)
131 Ų
H-Brücken-Donoren
6
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
1
Schwere Atome
22

Experimentelle und physikochemische Eigenschaften

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 · 2 Einträge

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]

Physikochemische Eigenschaften

Schmelzpunkt
208 · 208-210°C
Siedepunkt
685.6 · 685.6±55.0 °C(Predicted)
Dichte
1.695 · 1.695±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C
Löslichkeit
Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (25%)

Sicherheitsdaten

F
3-10
wgk
3
hs_code
29329990
RTECS-Nr.
KB5100000
safety_code
24/25
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

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

Anwendungen

Verwendenantineoplastic

Anbieter50 Anbieter

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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