Chemical Components in the PDB

pdbe.org/chem
spacer

CHZ : Summary

Code

CHZ

One-letter code

X

Molecule name

1,8-dihydroxyanthracene-9,10-dione

Synonyms

Chrysazin

Systematic names

ProgramVersionName
ACDLabs 10.04 1,8-dihydroxyanthracene-9,10-dione
OpenEye OEToolkits 1.5.0 1,8-dihydroxyanthracene-9,10-dione

Formula

C14 H8 O4

Formal charge

0

Molecular weight

240.211 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2c1cccc(O)c1C(=O)c3c2cccc3O
SMILES CACTVS 3.341 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O
Canonical SMILES CACTVS 3.341 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O

IUPAC InChI

InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H

IUPAC InChI key

QBPFLULOKWLNNW-UHFFFAOYSA-N
CHZ

wwPDB Information

Atom count

26 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-06-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned