Details of the Drug

General Information of Drug (ID: DMP1D5Q)

Drug Name

Cudraxanthone L

Synonyms

cudraxanthone L; 135541-40-1; CHEMBL197916; MolPort-035-706-469; BDBM50175013; ZINC13412042; AKOS032948133; W2632; 1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)-2-(2-methylbut-3-en-2-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)

396.4

Logarithm of the Partition Coefficient (xlogp)

6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C23H24O6
IUPAC Name: 1,3,6,7-tetrahydroxy-2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)xanthen-9-one
Canonical SMILES: CC(=CCC1=C2C(=CC(=C1O)O)C(=O)C3=C(O2)C=C(C(=C3O)C(C)(C)C=C)O)C
InChI: InChI=1S/C23H24O6/c1-6-23(4,5)18-14(24)10-16-17(21(18)28)20(27)13-9-15(25)19(26)12(22(13)29-16)8-7-11(2)3/h6-7,9-10,24-26,28H,1,8H2,2-5H3
InChIKey: LVKPSBFBKBJJOB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11486277
TTD ID: D0A2OH

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.