Details of the Drug

General Information of Drug (ID: DM4I2NR)

Drug Name

MANGOSTENONE G

Synonyms

CHEMBL1224412; MANGOSTENONE G; BDBM50325678

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)

394.4

Logarithm of the Partition Coefficient (xlogp)

5.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C23H22O6
IUPAC Name: 4,8,10-trihydroxy-9-(3-methylbut-2-enyl)-2-prop-1-en-2-yl-1,2-dihydrofuro[3,2-a]xanthen-11-one
Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C(=C3)O)OC(C4)C(=C)C)O)C
InChI: InChI=1S/C23H22O6/c1-10(2)5-6-12-14(24)8-18-20(21(12)26)22(27)19-13-7-16(11(3)4)29-23(13)15(25)9-17(19)28-18/h5,8-9,16,24-26H,3,6-7H2,1-2,4H3
InChIKey: SEGCUVJLNASWOR-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Influenza Neuraminidase (Influ NA)	TT50QJ3	NRAM_I33A0	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Xanthones with neuraminidase inhibitory activity from the seedcases of Garcinia mangostana. Bioorg Med Chem. 2010 Sep 1;18(17):6258-64.