Details of the Drug

General Information of Drug (ID: DMFKQ0B)

Drug Name

Isorhamnetin 3,7-disulfate

Synonyms

Isorhamnetin 3,7-disulfate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
2

Molecular Weight

552.6

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

4

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

13

Chemical Identifiers

Formula: C16H10K2O13S2
IUPAC Name: dipotassium;[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3-sulfonatooxychromen-7-yl] sulfate
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O.[K+].[K+]
InChI: InChI=1S/C16H12O13S2.2K/c1-26-11-4-7(2-3-9(11)17)15-16(29-31(23,24)25)14(19)13-10(18)5-8(6-12(13)27-15)28-30(20,21)22;;/h2-6,17-18H,1H3,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2
InChIKey: JILXHFDBMPFPLQ-UHFFFAOYSA-L