Details of the Drug

General Information of Drug (ID: DMM4ZKU)

Drug Name

ZAPOTIN

Synonyms

Zapotin; 14813-19-5; CHEMBL375582; 5,6,2',6'-tetramethoxyflavone; 2-(2,6-dimethoxyphenyl)-5,6-dimethoxychromen-4-one; Flavone, 2',5,6,6'-tetramethoxy-; AC1LCGQ2; SCHEMBL3307703; 2',6',5,6-Tetramethoxyflavon; DTXSID80348078; 2-(2,6-Dimethoxyphenyl)-5,6-dimethoxy-4H-chromen-4-one; PBQMALAAFQMDSP-UHFFFAOYSA-N; 2',5,6,6'-Tetramethoxyflavone; MolPort-005-945-165; 4H-1-Benzopyran-4-one, 2-(2,6-dimethoxyphenyl)-5,6-dimethoxy-; 5,6,2'',6''-tetramethoxyflavone; ZINC14756841; LMPK12110091; Flavone,2',5,6,6'-tetramethoxy-; BDBM50202558

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)

342.3

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C19H18O6
IUPAC Name: 2-(2,6-dimethoxyphenyl)-5,6-dimethoxychromen-4-one
Canonical SMILES: COC1=C(C(=CC=C1)OC)C2=CC(=O)C3=C(O2)C=CC(=C3OC)OC
InChI: InChI=1S/C19H18O6/c1-21-12-6-5-7-13(22-2)18(12)16-10-11(20)17-14(25-16)8-9-15(23-3)19(17)24-4/h5-10H,1-4H3
InChIKey: PBQMALAAFQMDSP-UHFFFAOYSA-N