Results for:
PubChem ID: 65064

[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

Compound Details

Synonymous names
(-)-Epigallocatechin gallate
EGCG
989-51-5
Epigallocatechin gallate
Epigallocatechin 3-gallate
Tea catechin
Epigallocatechin-3-gallate
Teavigo
Epigallocatechin-3-monogallate
(-)-Epigallocatechin-3-o-gallate
(-)-epigallocatechin 3-gallate
PF-EGCg 90
(-)-Epigallocatechol gallate
NVP-XAA 723
CCRIS 3729
(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate
Catechin deriv.
UNII-BQM438CTEL
BQM438CTEL
epigallocatechin-3-O-gallate
CHEBI:4806
Epigallocatechingallate
Epigallocatechin-gallate
Epigallocatechol, 3-gallate, (-)-
(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
CHEMBL297453
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
DTXSID1029889
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate
Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester
EGCG cpd
(-)-Epigallocatechin Gallate (Standard)
(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Gallic acid, 3-ester with epigallocatechol, (-)-
DTXCID80567
(-)-cis-3,3',4',5,5',7-Hexahydroxy-flavane-3-gallate
epigallo-catechin gallate
(-)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate
Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2R-cis)-
Benzoic acid, 3,4,5-trihydroxy-,(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester
CAS-989-51-5
SMR000449288
SR-01000759328
(-)-EPIGALLOCATECHIN-3-O-GALLATE (USP-RS)
(-)-EPIGALLOCATECHIN-3-O-GALLATE [USP-RS]
L-Epigallocatechin gallate
Epigallocate
Sunphenon
EPIGALOCATECHIN GALLATE
(-)-EGCG
Epigallocic acid
Teatannin II
2kdh
3oob
4awm
(-)-epigallocatechin 3-O-gallate
KDH
Epigallocatcchin Gallate
Epigallocatechol Gallate
Spectrum_000316
SpecPlus_000277
Spectrum2_000168
Spectrum3_000244
Spectrum4_001541
Spectrum5_000102
Galloyl-L-epigallocatechol
EGCG [WHO-DD]
EGCG [MI]
3-O-Galloylepigallocatechin
(-)-Epigallocatechin gallat
(-)-Epigallocatehin gallate
SCHEMBL35258
BSPBio_001628
epigallocatechin-gallate-(-)
KBioGR_002002
KBioSS_000796
SPECTRUM210239
cid_65064
MLS000758300
MLS001424000
DivK1c_006373
SPBio_000035
Epigallocatechin monogallate, B
GTPL7002
MEGxp0_001166
(-)-Epigallocatechin-3-gallate
ACon1_001054
KBio1_001317
KBio2_000796
KBio2_003364
KBio2_005932
KBio3_001128
HMS2051K21
HMS3649E08
3-O-Galloyl-(-)-epigallocatechin
EPIGALLOCATECHIN 3-O-GALLATE
Tox21_201468
Tox21_303457
BDBM50070942
CCG-38378
FR-109
HY-13653R
LMPK12030005
MFCD00075940
s2250
AKOS015918182
CS-1258
DB12116
DS-9030
EPIGALLOCATECHIN GALLATE [INCI]
MCULE-3341525983
MCULE-7760530136
NC00078
SDCCGMLS-0066550.P001
(-)-Epigallocatechin gallate, >=95%
(-)-Epigallocatechin-3-gallate; EGCG
NCGC00164319-01
NCGC00164319-02
NCGC00164319-03
NCGC00164319-04
NCGC00164319-06
NCGC00257243-01
NCGC00259019-01
(-)-Epigallocatechin gallate (85% (-)-epigallocatechin gallate, 10% (-)-epigallocatechin, 5% (-)- epicatechin gallate)
1ST40118
AC-34075
BP-30205
HY-13653
CS-0694875
E0694
NS00015163
SW197458-3
C09731
M01719
(-)-Epigallocatechin gallate, >=97.0% (HPLC)
(-)-Epigallocatechin gallate, analytical standard
A845931
Q393339
SR-01000946601
Q-100914
SR-01000759328-5
SR-01000759328-6
SR-01000946601-1
Epigallocatechin-3-gallate 1000 microg/mL in Acetonitrile
(-)-Epigallocatechin gallate, >=80% (HPLC), from green tea
Epigallocatechin gallate, primary pharmaceutical reference standard
((2R,3R)-2-(3,4,5-trihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl) 3,4,5-trihydroxybenzoate
(-)-Epigallocatechin-3-O-gallate, United States Pharmacopeia (USP) Reference Standard
(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl3,4,5-trihydroxybenzoate
[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 2,3,4-trihydroxybenzoate
Epigallocatechin gallate, Pharmaceutical Secondary Standard; Certified Reference Material
(-)-cis-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1(2H)-benzopyran-3-yl Gallate
(-)-EPIGALLOCATECHIN GALLATE (85% (-)-EPIGALLOCATECHIN GALLATE, 10% (-)-EPIGALLOCATECHIN, 5% (-)-EPICATECHIN GALLATE)
(-)-EPIGALLOCATECHIN-3-O-GALLATE (EGCG) (CONSTITUENT OF POWDERED DECAFFEINATED GREEN TEA EXTRACT)
(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl-3,4,5-trihydroxybenzoate
(2R-cis)-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl 3,4,5-Trihydroxybenzoate
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]3,4,5-trihydroxybenzoate
2041570-28-7
3,4-Dihydro-5,7-dihydroxy-2R-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3R-yl-3,4,5-trihydroxybenzoate
Microorganism:

Yes

IUPAC name[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
SMILESC1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
InchiInChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
FormulaC22H18O11
PubChem ID65064
Molweight458.4
LogP1.2
Atoms33
Bonds4
H-bond Acceptor11
H-bond Donor8
Chemical Classificationaromatic compounds flavonoids ethers benzenoids esters heterocyclic compounds phenols
CHEBI-ID4806
Supernatural-IDSN0413964-04

mVOC Specific Details

Massbank-Links
Massbank Spectrum MSBNK-BGC_Munich-RP017901
Massbank Spectrum MSBNK-BGC_Munich-RP017902
Massbank Spectrum MSBNK-BGC_Munich-RP017903
Massbank Spectrum MSBNK-BGC_Munich-RP017911
Massbank Spectrum MSBNK-BGC_Munich-RP017912
Massbank Spectrum MSBNK-BGC_Munich-RP017913
Massbank Spectrum MSBNK-BS-BS003896
Massbank Spectrum MSBNK-BS-BS003897
Massbank Spectrum MSBNK-BS-BS003898
Massbank Spectrum MSBNK-BS-BS003899
Massbank Spectrum MSBNK-BS-BS003900
Massbank Spectrum MSBNK-BS-BS003901
Massbank Spectrum MSBNK-LCSB-LU080801
Massbank Spectrum MSBNK-LCSB-LU080803
Massbank Spectrum MSBNK-LCSB-LU080804
Massbank Spectrum MSBNK-LCSB-LU080851
Massbank Spectrum MSBNK-LCSB-LU080852
Massbank Spectrum MSBNK-LCSB-LU080853
Massbank Spectrum MSBNK-LCSB-LU080854
Massbank Spectrum MSBNK-LCSB-LU080855
Massbank Spectrum MSBNK-LCSB-LU080856
Massbank Spectrum MSBNK-RIKEN-PR302550
Massbank Spectrum MSBNK-RIKEN-PR302556
Massbank Spectrum MSBNK-RIKEN-PR302562
Massbank Spectrum MSBNK-RIKEN-PR302568
Massbank Spectrum MSBNK-RIKEN-PR302574
Massbank Spectrum MSBNK-RIKEN-PR302580
Massbank Spectrum MSBNK-RIKEN-PR302586
Massbank Spectrum MSBNK-RIKEN-PR302592
Massbank Spectrum MSBNK-RIKEN-PR302598
Massbank Spectrum MSBNK-RIKEN-PR302604
Massbank Spectrum MSBNK-RIKEN-PR302610
Massbank Spectrum MSBNK-RIKEN-PR302616
Massbank Spectrum MSBNK-RIKEN-PR306209
Massbank Spectrum MSBNK-RIKEN-PR306215
Massbank Spectrum MSBNK-RIKEN-PR306221
Massbank Spectrum MSBNK-RIKEN-PR306227
Massbank Spectrum MSBNK-RIKEN-PR306233
Massbank Spectrum MSBNK-RIKEN-PR306239
Massbank Spectrum MSBNK-RIKEN-PR306245
Massbank Spectrum MSBNK-RIKEN-PR306251
Massbank Spectrum MSBNK-RIKEN-PR306257
Massbank Spectrum MSBNK-RIKEN-PR306263
Massbank Spectrum MSBNK-RIKEN-PR306269
Massbank Spectrum MSBNK-RIKEN-PR306275
Massbank Spectrum MSBNK-RIKEN-PR308799
Massbank Spectrum MSBNK-RIKEN-PR310494
Massbank Spectrum MSBNK-Univ_Toyama-TY000083

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAGe et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaegrape juiceLC-15C HPLCno