Details of the Drug

General Information of Drug (ID: DMT847Y)

Drug Name

2-(4-hydroxyphenyl)-7-methoxychroman-4-one

Synonyms

Methyl-liquiritigenin; CHEMBL402970; 4'-hydroxy-7-methoxyflavanone; 32274-71-8; 7-Methylliquiritigenin; CTK1B9324; DTXSID80437613; LMPK12140062; BDBM50374257; AKOS030552775; 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-

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)

270.28

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H14O4
IUPAC Name: 2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
Canonical SMILES: COC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC=C(C=C3)O
InChI: InChI=1S/C16H14O4/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-8,15,17H,9H2,1H3
InChIKey: OJOSVTQXBSSCMQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10265122
CAS Number: 32274-71-8
TTD ID: D0W3LM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aromatase (CYP19A1)	TTSZLWK	CP19A_HUMAN	Inhibitor	[1]

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

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	New 7,8-benzoflavanones as potent aromatase inhibitors: synthesis and biological evaluation. Bioorg Med Chem. 2008 Feb 1;16(3):1474-80.