EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	5VK8D4E73X
EPA CompTox	DTXSID901284107

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

5VK8D4E73X

EPA CompTox

DTXSID901284107


InChI Key	IECRXMSGDFIOEY-UHFFFAOYSA-N
Smiles	COc1c2c(=O)cc(c3ccc(cc3)O)oc2c(c(c1OC)OC)OC
InChI	InChI=1S/C19H18O7/c1-22-15-14-12(21)9-13(10-5-7-11(20)8-6-10)26-16(14)18(24-3)19(25-4)17(15)23-2/h5-9,20H,1-4H3

InChI Key

IECRXMSGDFIOEY-UHFFFAOYSA-N

Smiles

COc1c2c(=O)cc(c3ccc(cc3)O)oc2c(c(c1OC)OC)OC

InChI

InChI=1S/C19H18O7/c1-22-15-14-12(21)9-13(10-5-7-11(20)8-6-10)26-16(14)18(24-3)19(25-4)17(15)23-2/h5-9,20H,1-4H3

Property Name	Value
Molecular Weight	358.11
AlogP	3.2
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	87.36
Heavy Atoms	26.0

Property Name

Value

Molecular Weight

358.11

AlogP

3.2

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

87.36

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	36950-98-8
NORMAN SUSDAT
FDA SRS	5VK8D4E73X
PubChem	3010100

Resources

Reference

CAS NUMBER

36950-98-8

NORMAN SUSDAT

FDA SRS

5VK8D4E73X

PubChem

3010100

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

4'-HYDROXY-5,6,7,8-TETRAMETHOXYFLAVONE

Structure

Physicochemical Descriptors

Cross References