Details of the Drug

General Information of Drug (ID: DMBSH5L)

• Drug Name: (+/-)-Daedalin A
• Synonyms: CHEMBL590726

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); 2.1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C11H12O3
  IUPAC Name: 2-methoxy-2-methylchromen-6-ol
  Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=C2)O)OC
  InChI: InChI=1S/C11H12O3/c1-11(13-2)6-5-8-7-9(12)3-4-10(8)14-11/h3-7,12H,1-2H3
  InChIKey: DLZKKUHAZDHCSL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46230831
  TTD ID: D0S5OR

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.