Details of the Drug

General Information of Drug (ID: DM2VC0E)

Drug Name

8-prenylapigenin

Synonyms

Licoflavone C; 8-Prenylapigenin; 72357-31-4; UNII-0DQ85982ZY; 4',5,7-Trihydroxy-8-prenylflavone; CHEMBL371562; 0DQ85982ZY; SCHEMBL1231403; MEGxp0_002023; ACon1_001079; ZINC21406; MolPort-001-742-698; 4,5,7-trihydroxy-8-prenylflavone; LMPK12110422; BDBM50240972; 5,7,4'-Trihydroxy-8-prenylflavone; AKOS027326549; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-; NCGC00169697-01; BRD-K74687851-001-01-8

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)

338.4

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C20H18O5
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)C
InChI: InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
InChIKey: MEHHCBRCXIDGKZ-UHFFFAOYSA-N