Results for:
PubChem ID: 107905

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

Compound Details

Synonymous names	(-)-Epicatechin gallate 1257-08-5 Epicatechin gallate (-)-epicatechingallate (-)-Epicatechin-3-O-gallate L-Epicatechin gallate epicatechin monogallate (-)-Epicatechin-3-gallate Teatannin (-)-Epicatechin 3-O-gallate ECG Epicatechol, gallate 3-O-Galloylepicatechin epicatechin-3-O-gallate (-)-cis-3,3',4',5,7-Pentahydroxyflavane 3-gallate 3-Gallate(-)-Epicatechol CHEMBL36327 [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate CHEBI:70255 92587OVD8Z MFCD00075936 (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate Epicatechin-3-galloyl ester Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester Epicatechin 3-gallate epi-Catechin 3-O-gallate epicatechin gallate, (2R-cis)-isomer NSC 636594 UNII-92587OVD8Z NSC636594 (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate Epicatechol, 3-gallate, (-)- NSC-636594 (-)epicatechingallate Spectrum_000314 L-ECG SpecPlus_000275 (-) epicatechin gallate epicatechin-gallate-(-) Spectrum2_000165 Spectrum3_000246 Spectrum4_001540 Spectrum5_000080 epicatechin gallate (ECG) (-)-Epicatechin 3-gallate (?)-Epicatechin 3-gallate SCHEMBL39047 BSPBio_001632 EPICATECHOL 3-GALLATE KBioGR_001980 KBioSS_000794 SPECTRUM210238 Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)- DivK1c_006371 EPICATECHINGALLATE, L- SPBio_000029 (-)EPICATECHIN GALLATE MEGxp0_000810 EPICATECHIN 3-O-GALLATE GTPL12462 KBio1_001315 KBio2_000794 KBio2_003362 KBio2_005930 KBio3_001132 DTXSID70925231 3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester HY-N0002 BDBM50153015 CCG-38376 LMPK12020090 s3925 AKOS015965216 AC-6037 AM84365 CS-3761 MCULE-8110076741 SDCCGMLS-0066549.P001 (-)-cis-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate (-)-EPI CATECHIN-3-O-GALLATE [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate NCGC00179135-01 NCGC00179135-02 1ST40120 AS-15722 E0890 NS00094557 SR-05000002675 Q-200002 Q5382492 SR-05000002675-1 BRD-K50660797-001-01-0 BRD-K50660797-001-03-6 (-)-Epicatechin gallate, >=98% (HPLC), from green tea Epicatechin gallate, primary pharmaceutical reference standard rel-(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate 3,4,5-Trihydroxy-benzoic acid (2R,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7- dihydroxy-2H-1-benzopyran-3-yl ester, (-)-cis-
Microorganism:	Yes
IUPAC name	[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
SMILES	C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
Inchi	InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
Formula	C22H18O10
PubChem ID	107905
Molweight	442.4
LogP	1.5
Atoms	32
Bonds	4
H-bond Acceptor	10
H-bond Donor	7
Chemical Classification	aromatic compounds flavonoids ethers benzenoids esters heterocyclic compounds phenols
CHEBI-ID	70255
Supernatural-ID	SN0214048-04

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Saccharomyces Cerevisiae NA NA Ge et al. 2021
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Saccharomyces Cerevisiae grape juice LC-15C HPLC no