EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QVL2VOV0UG
EPA CompTox	DTXSID20202024

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QVL2VOV0UG

EPA CompTox

DTXSID20202024


InChI Key	WSECHJISCFFJEN-UHFFFAOYSA-N
Smiles	O=c1oc2c(cccc2)c2c1COCC2
InChI	InChI=1S/C12H10O3/c13-12-10-7-14-6-5-8(10)9-3-1-2-4-11(9)15-12/h1-4H,5-7H2

InChI Key

WSECHJISCFFJEN-UHFFFAOYSA-N

Smiles

O=c1oc2c(cccc2)c2c1COCC2

InChI

InChI=1S/C12H10O3/c13-12-10-7-14-6-5-8(10)9-3-1-2-4-11(9)15-12/h1-4H,5-7H2

Property Name	Value
Molecular Formula	C12H10O3
Molecular Weight	202.06
AlogP	1.87
Hydrogen Bond Acceptor	3.0
Polar Surface Area	39.44
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H10O3

Molecular Weight

202.06

AlogP

1.87

Hydrogen Bond Acceptor

3.0

Polar Surface Area

39.44

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	5375-87-1
NORMAN SUSDAT
FDA SRS	QVL2VOV0UG
PubChem	134586
ChemSpider	94144.0

Resources

Reference

CAS NUMBER

5375-87-1

NORMAN SUSDAT

FDA SRS

QVL2VOV0UG

PubChem

134586

ChemSpider

94144.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

1,4-DIHYDRO-2H,5H-PYRANO(3,4-C)(1)BENZOPYRAN-5-ONE

Structure

Physicochemical Descriptors

Cross References