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E6T : Summary

Code

E6T

One-letter code

X

Molecule name

3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one

Formula

C16 H10 N2 O2

Formal charge

0

Molecular weight

262.263 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1cccc(c1)c2c[nH]c3c2ccc4C=NC(=O)c34
SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)O)c2c[nH]c3c2ccc4c3C(=O)N=C4
Canonical SMILES CACTVS 3.385 Oc1cccc(c1)c2c[nH]c3c2ccc4C=NC(=O)c34
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)O)c2c[nH]c3c2ccc4c3C(=O)N=C4

IUPAC InChI

InChI=1S/C16H10N2O2/c19-11-3-1-2-9(6-11)13-8-17-15-12(13)5-4-10-7-18-16(20)14(10)15/h1-8,17,19H

IUPAC InChI key

NIESWLNGCVKLAW-UHFFFAOYSA-N
E6T

wwPDB Information

Atom count

30 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-02-21

Last modified at

2018-05-11

Status

Released

Obsoleted

Not Assigned