EcoDrugPlus


Synonyms	3,5,6,7,8,3',4'-Heptamethoxy-Flavone 3,5,6,7,8,3',4'-Heptamethoxyflavone
Molecule Category	Free-form
UNII	288R4CAV1V
EPA CompTox	DTXSID70151912
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

3,5,6,7,8,3',4'-Heptamethoxy-Flavone

3,5,6,7,8,3',4'-Heptamethoxyflavone

Molecule Category

Free-form

UNII

288R4CAV1V

EPA CompTox

DTXSID70151912

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	SSXJHQZOHUYEGD-UHFFFAOYSA-N
Smiles	COC1=C(Oc2c(OC)c(OC)c(OC)c(OC)c2C1=O)c3ccc(OC)c(OC)c3
InChI	InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3

InChI Key

SSXJHQZOHUYEGD-UHFFFAOYSA-N

Smiles

COC1=C(Oc2c(OC)c(OC)c(OC)c(OC)c2C1=O)c3ccc(OC)c(OC)c3

InChI

InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3

Property Name	Value
Molecular Formula	C22H24O9
Molecular Weight	432.42
AlogP	2.73
Hydrogen Bond Acceptor	9.0
Number of Rotational Bond	8.0
Polar Surface Area	90.91
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C22H24O9

Molecular Weight

432.42

AlogP

2.73

Hydrogen Bond Acceptor

9.0

Number of Rotational Bond

8.0

Polar Surface Area

90.91

Heavy Atoms

31.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Phytophthora citrophthora	-	1040000	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Phytophthora citrophthora

1040000

Resources	Reference
CAS NUMBER	1178-24-1
ChEMBL	CHEMBL77993
FDA SRS	288R4CAV1V
PubChem	150893
SureChEMBL	SCHEMBL1764676

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

3,5,6,7,8,3',4'-HEPTAMETHOXYFLAVONE

Structure

Physicochemical Descriptors

Pharmacology

Cross References