Chemical Components in the PDB

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EGT : Summary

Code

EGT

One-letter code

X

Molecule name

2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL

Synonyms

EPIGALLOCATECHIN

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
OpenEye OEToolkits 1.5.0 (2R,3R)-2-(3,4,5-trihydroxyphenyl)chroman-3,5,7-triol

Formula

C15 H14 O7

Formal charge

0

Molecular weight

306.267 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc1cc(cc(O)c1O)C3Oc2cc(O)cc(O)c2CC3O
SMILES CACTVS 3.341 O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3cc(O)c(O)c(O)c3
SMILES OpenEye OEToolkits 1.5.0 c1c(cc(c(c1O)O)O)C2C(Cc3c(cc(cc3O2)O)O)O
Canonical SMILES CACTVS 3.341 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3
Canonical SMILES OpenEye OEToolkits 1.5.0 c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O

IUPAC InChI

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

IUPAC InChI key

XMOCLSLCDHWDHP-IUODEOHRSA-N
EGT

wwPDB Information

Atom count

36 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-08-14

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned