EcoDrugPlus


Synonyms	Isoflavone NSC-135405
Status
Molecule Category	Free-form
UNII	OVO2KUW8H8
EPA CompTox	DTXSID90205986


InChI Key	GOMNOOKGLZYEJT-UHFFFAOYSA-N
Smiles	O=c1c(-c2ccccc2)coc2ccccc12
InChI	InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H

Property Name	Value
Molecular Formula	C15H10O2
Molecular Weight	222.24
AlogP	3.46
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	30.21
Heavy Atoms	17.0

Resources	Reference
ChEBI	18220
ChEMBL	CHEMBL366460
DrugBank	DB12007
FDA SRS	OVO2KUW8H8
KEGG	C00799
PubChem	72304
SureChEMBL	SCHEMBL8028
ZINC	ZINC000000895390

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

ISOFLAVONE

Structure

Physicochemical Descriptors

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