EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	LKX634SL5X

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

LKX634SL5X


InChI Key	FVGXANXBVWECQE-BYWGDBCOSA-N
Smiles	COc1ccc2OCC(C)(C)C=C(C=CC(C)=CC(O)=O)c2c1
InChI	InChI=1S/C19H22O4/c1-13(9-18(20)21)5-6-14-11-19(2,3)12-23-17-8-7-15(22-4)10-16(14)17/h5-11H,12H2,1-4H3,(H,20,21)/b6-5+,13-9+

InChI Key

FVGXANXBVWECQE-BYWGDBCOSA-N

Smiles

COc1ccc2OCC(C)(C)C=C(C=CC(C)=CC(O)=O)c2c1

InChI

InChI=1S/C19H22O4/c1-13(9-18(20)21)5-6-14-11-19(2,3)12-23-17-8-7-15(22-4)10-16(14)17/h5-11H,12H2,1-4H3,(H,20,21)/b6-5+,13-9+

Property Name	Value
Molecular Formula	C19H22O4
Molecular Weight	314.15
AlogP	4.08
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	55.76
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H22O4

Molecular Weight

314.15

AlogP

4.08

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

55.76

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	280585-34-4
NORMAN SUSDAT
FDA SRS	LKX634SL5X

Resources

Reference

CAS NUMBER

280585-34-4

NORMAN SUSDAT

FDA SRS

LKX634SL5X

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

OXEGLITAZAR

Structure

Physicochemical Descriptors

Cross References