Details of the Drug

General Information of Drug (ID: DMF08UT)

• Drug Name: 6,7-Dihydroxy-2-phenyl-chromen-4-one
• Synonyms: 6,7-dihydroxyflavone; 38183-04-9; 6,7-dihydroxy-2-phenyl-4H-chromen-4-one; 6,7-Dihydroxy-2-phenyl-chromen-4-one; 6,7-dihydroxy flavone; 4H-1-Benzopyran-4-one, 6,7-dihydroxy-2-phenyl-; CHEMBL300814; 6,7-dihydroxy-2-phenylchromen-4-one; SR-05000002250; PubChem9843; 6,7 - Dihydroxyflavone; AC1NS43N; SPECTRUM1500718; SCHEMBL980197; DivK1c_000421; CTK4H9455; KBio1_000421; HMS501F03; DTXSID60191569; NINDS_000421; GSAOUZGPXSGVRS-UHFFFAOYSA-N; ZINC3871176; BDBM50077318; AKOS024283483; CCG-208431; MCULE-6698063887; IDI1_000421; ACM38183049

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); 254.24
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C15H10O4
  IUPAC Name: 6,7-dihydroxy-2-phenylchromen-4-one
  Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3O2)O)O
  InChI: InChI=1S/C15H10O4/c16-11-7-14(9-4-2-1-3-5-9)19-15-8-13(18)12(17)6-10(11)15/h1-8,17-18H
  InChIKey: GSAOUZGPXSGVRS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5353357
  CAS Number: 38183-04-9
  TTD ID: D05HBF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aldose reductase (AKR1B1)	TTFBNVI	ALDR_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
Aldose reductase (AKR1B1)	DTT	AKR1B1	1.08E-20	0.94	1.58

References

• [1] 1-Benzopyran-4-one antioxidants as aldose reductase inhibitors. J Med Chem. 1999 Jun 3;42(11):1881-93.