Epigallocatechin

EPIGALLOCATECHIN · epi- · l-Epigallocatechol · (-)-EGC, ≥98%(HPLC) · (-)-epigallocatechol · (+)-Epigallocatechin · (2R)-3,4-Dihydro-2α-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3α,5,7-triol · TFPI1

https://huagongshe.com/de/chemical/72277

Identifikatoren & physikalische Daten

CAS No.	970-74-1
Summenformel	C15H14O7
Durchschnittliche Molmasse	306,27 g/mol
Monoisotopische Masse	306,07395279 g/mol
SMILES	Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2
InChIKey	XMOCLSLCDHWDHP-IUODEOHRSA-N
PubChem CID	72277
ChEMBL	CHEMBL47386
ChEBI	CHEBI:42255
EC No.	619-254-4
DTXSID	DTXSID40891550

Chemische & physikalische Eigenschaften

XLogP	0
Polarare Oberfläche (TPSA)	131
H-Brücken-Donoren	6
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	1
Schwere Atome	22
Formalladung	0
Komplexität	380
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
Lipide	Polyketides [PK] -> Flavonoids [PK12] -> Flavans, Flavanols and Leucoanthocyanidins [PK1202]
Endocrine Disruptors	Potential endocrine disrupting compound
Schmelzpunkt	219 - 221 °C208-210°C
Physical Description	Solid
Collision Cross Section	165.5 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]152.21 Å² [M+H]+ [CCS Type: TW
Siedepunkt	685.6±55.0 °C(Predicted)
Dichte	1.695±0.06 g/cm3(Predicted)
Lagerbedingungen	-20°C
Löslichkeit	Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	9.02±0.15(Predicted)
Farbe	White to Light Beige
Biologische Quelle	green tea
Stabilität	Stable. Incompatible with strong oxidizing agents.
Hauptanwendungen	metabolomicsvitamins, nutraceuticals, and natural products
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-IUODEOHRSA-N
SMILES	O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3
LogP (Verteilungskoeffizient)	-0.100 (est)
CAS Datenbank	970-74-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.WarningH315 (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.
Hazard Classes and Categories	Skin Irrit. 2 (25%)
F	3-10
Wassergefährdungsklasse (WGK)	3
Zollcode	29329990
RTECS-Nr.	KB5100000
Sicherheitshinweise (S)	24/25
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

antineoplastic