Details of the Drug

General Information of Drug (ID: DM7WFZ8)

Drug Name

Formononetin

Synonyms

formononetin; 485-72-3; Biochanin B; Formononetol; 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; 7-Hydroxy-4'-methoxyisoflavone; 4'-O-methyldaidzein; 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-; UNII-295DQC67BJ; 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone; CHEBI:18088; Isoflavone, 7-hydroxy-4'-methoxy-; EINECS 207-623-9; NSC 93360; NSC-93360; 7-Hydroxy-3-(4-methoxyphenyl)chromone; 295DQC67BJ; HKQYGTCOTHHOMP-UHFFFAOYSA-N; NSC93360; AK106172

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

268.26

Topological Polar Surface Area (xlogp)

2.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H12O4
IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one
Canonical SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O
InChI: InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
InChIKey: HKQYGTCOTHHOMP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5280378
ChEBI ID: CHEBI:18088
CAS Number: 485-72-3
DrugBank ID: DB15335
TTD ID: D0M7BR
VARIDT ID: DR00955

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
SLC5A2 messenger RNA (SLC5A2 mRNA)	TTF8JAT	SC5A2_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
SLC5A2 messenger RNA (SLC5A2 mRNA)	DTT	SLC5A2	3.26E-01	-0.09	-0.37

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Na+-glucose cotransporter (SGLT) inhibitory flavonoids from the roots of Sophora flavescens. Bioorg Med Chem. 2007 May 15;15(10):3445-9.
2	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3	Clinical pipeline report, company report or official report of ISIS Pharmaceuticals (2011).
4	Alstiphyllanines E-H, picraline and ajmaline-type alkaloids from Alstonia macrophylla inhibiting sodium glucose cotransporter. Bioorg Med Chem. 2010 Mar 15;18(6):2152-2158.