EcoDrugPlus


Synonyms	HPEK-1 THQ Tetroquinone
Molecule Category	Free-form
UNII	U7L4P6H0SU
EPA CompTox	DTXSID9045897
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

HPEK-1

THQ

Tetroquinone

Molecule Category

Free-form

UNII

U7L4P6H0SU

EPA CompTox

DTXSID9045897

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	DGQOCLATAPFASR-UHFFFAOYSA-N
Smiles	OC1=C(O)C(=O)C(=C(O)C1=O)O
InChI	InChI=1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8,11-12H

InChI Key

DGQOCLATAPFASR-UHFFFAOYSA-N

Smiles

OC1=C(O)C(=O)C(=C(O)C1=O)O

InChI

InChI=1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8,11-12H

Property Name	Value
Molecular Formula	C6H4O6
Molecular Weight	172.09
AlogP	-1.46
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Polar Surface Area	115.06
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C6H4O6

Molecular Weight

172.09

AlogP

-1.46

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Polar Surface Area

115.06

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	319-89-1
ChEMBL	CHEMBL1329029
FDA SRS	U7L4P6H0SU
PubChem	5424
SureChEMBL	SCHEMBL167587

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

TETROQUINONE

Structure

Physicochemical Descriptors

Cross References