Details of the Drug

General Information of Drug (ID: DM3T612)

Drug Name

7-Hydroxy-4-phenylcoumarin

Synonyms

7-Hydroxy-4-phenylcoumarin; 2555-30-8; 7-hydroxy-4-phenyl-2H-chromen-2-one; 7-hydroxy-4-phenylchromen-2-one; NSC78474; 4-Phenyl-7-hydroxycoumarin; UNII-L0487H6Q0H; CHEMBL325841; L0487H6Q0H; 7-Hydroxy-4-phenyl-chromen-2-one; 7-oxidanyl-4-phenyl-chromen-2-one; NSC-78474; 2H-1-Benzopyran-2-one,7-hydroxy-4-phenyl-; 2H-1-Benzopyran-2-one, 7-hydroxy-4-phenyl-; 4-Phenylumbelliferone; PubChem8691; Coumarin derivative, 3c; AC1NSAV1; 7-Hydroxy4-phenylcoumarin; Oprea1_774373; 7-hydroxy-4-phenyl coumarin; MLS001143868; SCHEMBL2987658

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

238.24

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H10O3
IUPAC Name: 7-hydroxy-4-phenylchromen-2-one
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)O
InChI: InChI=1S/C15H10O3/c16-11-6-7-12-13(10-4-2-1-3-5-10)9-15(17)18-14(12)8-11/h1-9,16H
InChIKey: IVJMJRRORVMRJJ-UHFFFAOYSA-N