Details of the Drug

General Information of Drug (ID: DMY65ZP)

Drug Name

LICOAGROCHALCONE A

Synonyms

licoagrochalcone A; 3-Prenyl-4,2',4'-trihydroxychalcone; CHEMBL229885; 2',4,4'-trihydroxy-3-prenylchalcone; 202815-28-9; SCHEMBL632907; LMPK12120068; BDBM50212400; ACM202815289; (E)-2',4,4'-Trihydroxy-3-prenylchalcone; 1-(2,4-Dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-prop-2-en-1-one

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): 1

Molecular Weight (mw)

324.4

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H20O4
IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Canonical SMILES: CC(=CCC1=C(C=CC(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)O)C
InChI: InChI=1S/C20H20O4/c1-13(2)3-6-15-11-14(4-9-18(15)22)5-10-19(23)17-8-7-16(21)12-20(17)24/h3-5,7-12,21-22,24H,6H2,1-2H3/b10-5+
InChIKey: TVUGLERLRIQATC-BJMVGYQFSA-N