NQ

2-HYDROXYNAPHTHOQUINONE

Created:	2005-08-03
Last modified:	2020-06-05

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1 entries where NQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of NQ

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Chemical Component Summary
Name	2-HYDROXYNAPHTHOQUINONE
Synonyms	2-HYDROXY-1,4-NAPHTHOQUINONE
Systematic Name (OpenEye OEToolkits)	2-hydroxynaphthalene-1,4-dione
Formula	C₁₀ H₆ O₃
Molecular Weight	174.153
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2c1c(cccc1)C(=O)C(O)=C2
SMILES	CACTVS	3.341	OC1=CC(=O)c2ccccc2C1=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C(=O)C=C(C2=O)O
Canonical SMILES	CACTVS	3.341	OC1=CC(=O)c2ccccc2C1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C(=O)C=C(C2=O)O
InChI	InChI	1.03	InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H
InChIKey	InChI	1.03	CSFWPUWCSPOLJW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04744
Name	Lawsone
Groups	experimental
Synonyms	2-hydroxy-1,4-naphthalenedione 2-hydroxynaphthoquinone Lawsone 2-hydroxy-1,4-naphthoquinone
Categories	Anti-Infective Agents Antifungal Agents Coloring Agents Compounds used in a research, industrial, or household setting Cosmetics Dermatologicals Enzyme Inhibitors Naphthalenes Oxidoreductases Protective Agents Quinones Radiation-Protective Agents Sunscreen Agents
CAS number	83-72-7

Related Resource References

Resource Name	Reference
CCDC/CSD	TELYAK, GUNXAQ, GUNWIX, TELYAK01, GUNWUJ, TELYAK03, TELYAK02
COD	2005557, 7222008

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.