EcoDrugPlus


Synonyms	9,10-Phenanthrenequinone Phenanthrene-9,10-Dione
Molecule Category	Free-form
UNII	42L7BZ8H74
EPA CompTox	DTXSID3058901
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

9,10-Phenanthrenequinone

Phenanthrene-9,10-Dione

Molecule Category

Free-form

UNII

42L7BZ8H74

EPA CompTox

DTXSID3058901

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	YYVYAPXYZVYDHN-UHFFFAOYSA-N
Smiles	O=C1C(=O)c2ccccc2c3ccccc13
InChI	InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H

InChI Key

YYVYAPXYZVYDHN-UHFFFAOYSA-N

Smiles

O=C1C(=O)c2ccccc2c3ccccc13

InChI

InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H

Property Name	Value
Molecular Formula	C14H8O2
Molecular Weight	208.21
AlogP	2.81
Hydrogen Bond Acceptor	2.0
Polar Surface Area	34.14
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C14H8O2

Molecular Weight

208.21

AlogP

2.81

Hydrogen Bond Acceptor

2.0

Polar Surface Area

34.14

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	84-11-7
ChEMBL	CHEMBL51931
FDA SRS	42L7BZ8H74
PubChem	6763
SureChEMBL	SCHEMBL43050
ZINC	ZINC01529614

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

SureChEMBL

ZINC

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

9,10-PHENANTHRENEQUINONE

Structure

Physicochemical Descriptors

Cross References