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Substance Name: (-)-Epicatechin-3-O-gallate
RN: 1257-08-5
UNII: 92587OVD8Z
InChIKey: LSHVYAFMTMFKBA-TZIWHRDSSA-N

Note

  • A steroid 5alpha-reductase inhibitor; isolated from green tea.

Molecular Formula

  • C22-H18-O10

Molecular Weight

  • 442.374
 

Classification Codes

  • Antineoplastic Agents
  • Antineoplastic Agents, Phytogenic
  • Antioxidants
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Protease Inhibitors
  • Protective Agents
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Names and Synonyms

Results Name

  • (-)-Epicatechin-3-O-gallate

Name of Substance

  • Epicatechin gallate

Synonyms

  • (-)-Epicatechin-3-gallate
  • (-)-Epicatechin-3-O-gallate
  • epi-Catechin 3-O-gallate
  • Epicatechol, gallate (6CI)
  • L-Epicatechin gallate
  • NSC 636594
  • UNII-92587OVD8Z

Systematic Names

  • Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-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, (2R-cis)-
  • Epicatechol, 3-gallate, (-)- (8CI)

Registry Numbers

CAS Registry Number

  • 1257-08-5

FDA UNII

  • 92587OVD8Z

System Generated Number

  • 0001257085

Structure Descriptors

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

InChIKey

LSHVYAFMTMFKBA-TZIWHRDSSA-N

Smiles

c1c(c(ccc1[C@@H]1[C@H](OC(=O)c2cc(c(c(c2)O)O)O)Cc2c(cc(O)cc2O1)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #93-944,