Details of the Drug

General Information of Drug (ID: DMBQ1VO)

Drug Name

Cudraxanthone D

Synonyms

cudraxanthone D; 96552-41-9; CHEMBL425926; MolPort-035-706-470; ZINC13411981; BDBM50175019; AKOS032948528; 4CN-1670; W2633; 2,3,8-trihydroxy-6-methoxy-5-(2-methyl-3-buten-2-yl)-1-(3-methyl- 2-buten-1-yl)-9h-xanthen-9-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)

410.5

Logarithm of the Partition Coefficient (xlogp)

6.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C24H26O6
IUPAC Name: 2,3,8-trihydroxy-6-methoxy-5-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)xanthen-9-one
Canonical SMILES: CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C(=C(C=C3O)OC)C(C)(C)C=C)O)O)C
InChI: InChI=1S/C24H26O6/c1-7-24(4,5)20-17(29-6)10-14(25)19-22(28)18-13(9-8-12(2)3)21(27)15(26)11-16(18)30-23(19)20/h7-8,10-11,25-27H,1,9H2,2-6H3
InChIKey: UIIGEZZURHDEDK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11611248
TTD ID: D0I6EH

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)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Characteristic of neuraminidase inhibitory xanthones from Cudrania tricuspidata. Bioorg Med Chem. 2009 Apr 1;17(7):2744-50.