Details of the Drug

General Information of Drug (ID: DMFPO16)

Drug Name

4',4-Dihydroxychalcone

Synonyms

4,4'-Dihydroxychalcone; UNII-CKY3J88Z94; CKY3J88Z94; CHEMBL145927; 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one; 4',4-Dihydroxychalcone; 3600-61-1; 4,4'-Dihydroxybenzylidene acetophenone; RVC 588 (chalcone); 4,4''-dihydroxychalcone; 4'',4-Dihydroxychalcone; AC1NV3S6; (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one; Trans-4,4'-dihydroxychalcone; SCHEMBL773588; (E)-4,4'-Dihydroxychalcone; 4,4'-Dihydroxychalcone, (E)-; 1,3-bis(4-hydroxyphenyl)propenone; ZINC5843955; NSC652891; LMPK12120193; BDBM50068224; AKOS022660924; NSC-652891

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)

240.25

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H12O3
IUPAC Name: (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one
Canonical SMILES: C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)O)O
InChI: InChI=1S/C15H12O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,16-17H/b10-3+
InChIKey: FZQLEXXZAVVCCA-XCVCLJGOSA-N