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- ChemComp-CHZ: 1,8-dihydroxyanthracene-9,10-dione -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: CHZ
NameName: 1,8-dihydroxyanthracene-9,10-dione / Synonyms: Chrysazin

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Chemical information

Composition
Formula: C14H8O4 / Number of atoms: 26 / Formula weight: 240.211 / Formal charge: 0
Others

3hoq
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CHZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3HOQ
History
Create componentJun 8, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

CACTVS 3.341Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12
OpenEye OEToolkits 1.5.0c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03QBPFLULOKWLNNW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041,8-dihydroxyanthracene-9,10-dione
OpenEye OEToolkits 1.5.01,8-dihydroxyanthracene-9,10-dione

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PDB entries

Showing all 1 items

PDB-3nsq:
Crystal structure of tetrameric RXRalpha-LBD complexed with antagonist danthron

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