EcoDrugPlus


Synonyms	2-Acetylfuranonaphthoquinone
Molecule Category	Free-form
UNII	Z1HHM49K7O
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

2-Acetylfuranonaphthoquinone

Molecule Category

Free-form

UNII

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	DPHUWDIXHNQOSY-UHFFFAOYSA-N
Smiles	CC(=O)c1oc2C(=O)c3ccccc3C(=O)c2c1
InChI	InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3

InChI Key

DPHUWDIXHNQOSY-UHFFFAOYSA-N

Smiles

CC(=O)c1oc2C(=O)c3ccccc3C(=O)c2c1

InChI

InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3

Property Name	Value
Molecular Formula	C14H8O4
Molecular Weight	240.21
AlogP	2.23
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	64.34
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C14H8O4

Molecular Weight

240.21

AlogP

2.23

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

64.34

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	83280-65-3
ChEMBL	CHEMBL64130
FDA SRS	Z1HHM49K7O
PubChem	10331844
SureChEMBL	SCHEMBL1883845

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, 23^rd March 2026

2-ACETYL FURANONAPTHOQUINONE

Structure

Physicochemical Descriptors

Cross References