Details of the Drug

General Information of Drug (ID: DMWR3XL)

• Drug Name: DAEDALIN A
• Synonyms: CHEMBL602533; CHEBI:65721; (2R)-2-(hydroxymethyl)-2-methyl-2H-chromen-6-ol

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 192.21
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C11H12O3
  IUPAC Name: (2R)-2-(hydroxymethyl)-2-methylchromen-6-ol
  Canonical SMILES: C[C@@]1(C=CC2=C(O1)C=CC(=C2)O)CO
  InChI: InChI=1S/C11H12O3/c1-11(7-12)5-4-8-6-9(13)2-3-10(8)14-11/h2-6,12-13H,7H2,1H3/t11-/m1/s1
  InChIKey: LTKJWSBGTNWRNP-LLVKDONJSA-N
• Cross-matching ID:
  PubChem CID: 46216805
  ChEBI ID: CHEBI:65721
  TTD ID: D02IJM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosinase (TYR)	TTULVH8	TYRO_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tyrosinase (TYR)	DTT	TYR	6.68E-04	2.54	1.15

References

• [1] Asymmetric syntheses of daedalin A and quercinol and their tyrosinase inhibitory activity. Bioorg Med Chem Lett. 2010 Feb 1;20(3):1063-4.