Details of the Drug

General Information of Drug (ID: DMOMG7S)

• Drug Name: MACLURAXANTHONE
• Synonyms: Macluraxanthone; 5848-14-6; NSC107228; 3-Hydroxyblancoxanthone; Spectrum_000523; SpecPlus_000294; CHEBI:6623; 12-(1,1-dimethylallyl)-5,9,10-trihydroxy-2,2-dimethyl-pyrano[3,2-b]xanthen-6-one; MACLUROXANTHONE; NSC 107228; AC1NQYT1; Spectrum3_000165; Spectrum2_000431; Spectrum5_000191; Spectrum4_001486; C10076; KBioSS_001003; KBioGR_002091; BSPBio_001629; DivK1c_006390; SPBio_000442; SCHEMBL2546452; CHEMBL478960; KBio2_003571; KBio2_006139; KBio2_001003; KBio1_001334; KBio3_001129; DTXSID40207172; MolPort-001-736-557; ZINC5447704

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 394.4
  Logarithm of the Partition Coefficient (xlogp); 5.3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C23H22O6
  IUPAC Name: 5,9,10-trihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one
  Canonical SMILES: CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC4=C(C3=O)C=CC(=C4O)O)O)C
  InChI: InChI=1S/C23H22O6/c1-6-22(2,3)15-19-12(9-10-23(4,5)29-19)17(26)14-16(25)11-7-8-13(24)18(27)20(11)28-21(14)15/h6-10,24,26-27H,1H2,2-5H3
  InChIKey: XRVLGJCHUWXTDX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5281646
  ChEBI ID: CHEBI:6623
  CAS Number: 5848-14-6
  TTD ID: D0U8AU

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]

References

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