EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FY6PW480IY
EPA CompTox	DTXSID10165750

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FY6PW480IY

EPA CompTox

DTXSID10165750


InChI Key	WIXLQXLEPYJDRJ-UHFFFAOYSA-N
Smiles	CCOC(=O)c1c(c(=O)c2c(o1)cc(O)cc2O)c1ccc(OC)cc1
InChI	InChI=1S/C19H16O7/c1-3-25-19(23)18-15(10-4-6-12(24-2)7-5-10)17(22)16-13(21)8-11(20)9-14(16)26-18/h4-9,20-21H,3H2,1-2H3

InChI Key

WIXLQXLEPYJDRJ-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c(c(=O)c2c(o1)cc(O)cc2O)c1ccc(OC)cc1

InChI

InChI=1S/C19H16O7/c1-3-25-19(23)18-15(10-4-6-12(24-2)7-5-10)17(22)16-13(21)8-11(20)9-14(16)26-18/h4-9,20-21H,3H2,1-2H3

Property Name	Value
Molecular Formula	C19H16O7
Molecular Weight	356.09
AlogP	3.06
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	106.2
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C19H16O7

Molecular Weight

356.09

AlogP

3.06

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

106.2

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	15485-76-4
NORMAN SUSDAT
FDA SRS	FY6PW480IY
PubChem	5380187
ChemSpider	4528519.0

Resources

Reference

CAS NUMBER

15485-76-4

NORMAN SUSDAT

FDA SRS

FY6PW480IY

PubChem

5380187

ChemSpider

4528519.0

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

2-CARBETHOXY-5,7-DIHYDROXY-4'-METHOXYISOFLAVONE

Structure

Physicochemical Descriptors

Cross References