Details of the Drug

General Information of Drug (ID: DMUB5E8)

Drug Name

7,8-dihydroxy-4-phenyl-2H-chromen-2-one

Synonyms

7,8-dihydroxy-4-phenyl-2H-chromen-2-one; 842-01-3; 7,8-Dihydroxy-4-phenylcoumarin; 7,8-dihydroxy-4-phenylchromen-2-one; 2zvj; AC1NTWI0; AC1Q78GB; Oprea1_803491; IFLab1_001650; SCHEMBL1181304; CHEMBL1233867; 4-phenyl-7,8-dihydroxycoumarin; CTK5F1973; 4-phenyl-7,8-dihydroxycoumarine; DTXSID10419942; MolPort-000-852-912; JRVIIPJSVKTPBK-UHFFFAOYSA-N; ZINC406883; HMS1416K22; DNDI1417012; ALBB-015578; BBL029555; 0375AF; STL372126; AKOS005175244; MCULE-8639896630; DB08049; 7,8-dihydroxy-4-phenyl-chromen-2-one; 7,8-DIHYDROXY-4-PHENYL COUMARIN

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)

254.24

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H10O4
IUPAC Name: 7,8-dihydroxy-4-phenylchromen-2-one
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3O)O
InChI: InChI=1S/C15H10O4/c16-12-7-6-10-11(9-4-2-1-3-5-9)8-13(17)19-15(10)14(12)18/h1-8,16,18H
InChIKey: JRVIIPJSVKTPBK-UHFFFAOYSA-N