Details of the Drug

General Information of Drug (ID: DM9TWR7)

• Drug Name: DEHYDROZINGERONE
• Synonyms: Dehydrozingerone; 1080-12-2; Feruloylmethane; 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one; 4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one; Vanillalacetone; Dehydro(O)-paradol; MHSK; Dehydrogingerone; Vanylidenacetone; 3-BUTEN-2-ONE, 4-(4-HYDROXY-3-METHOXYPHENYL)-; (O)-Paradol, dehydro-; Vanillidene acetone; 3-Methoxy-4-hydroxybenzalacetone; (O)-Dehydroparadol; (E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one; 4-Hydroxy-3-methoxystyryl methyl ketone; NSC 5316; NSC 4019; Vanillylidene acetone; UNII-8CJX5I27B7; Vanillylideneacetone

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); 1.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C11H12O3
  IUPAC Name: (E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
  Canonical SMILES: CC(=O)/C=C/C1=CC(=C(C=C1)O)OC
  InChI: InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
  InChIKey: AFWKBSMFXWNGRE-ONEGZZNKSA-N
• Cross-matching ID:
  PubChem CID: 5354238
  ChEBI ID: CHEBI:81361
  CAS Number: 1080-12-2
  TTD ID: D05GRI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Amyloid beta A4 protein (APP)	TTE4KHA	A4_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
Amyloid beta A4 protein (APP)	DTT	APP	1.60E-02	-0.07	-0.31

References

• [1] Curcumin and dehydrozingerone derivatives: synthesis, radiolabeling, and evaluation for beta-amyloid plaque imaging. J Med Chem. 2006 Oct 5;49(20):6111-9.