Details of the Drug

General Information of Drug (ID: DMDBJCY)

• Drug Name: 3-hydroxy-4-methyl-6H-benzo[c]chromen-6-one
• Synonyms: 3-hydroxy-4-methyl-6H-benzo[c]chromen-6-one; 3-hydroxy-4-methylbenzo[c]chromen-6-one; CHEMBL203519; 76244-77-4; CBMicro_031406; AC1NT8BO; AC1Q2GPY; Oprea1_200366; SCHEMBL6825266; MolPort-000-688-996; ALBB-015456; ZINC5921519; BDBM50180504; STL466134; AKOS002377900; MCULE-5900160059; NS-02841; BIM-0031475.P001; R5445; 4-Methyl-3-hydroxy-6H-dibenzo[b,d]pyran-6-one; SR-01000229483; SR-01000229483-1; 6H-Dibenzo[b,d]pyran-6-one, 3-hydroxy-4-methyl-

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); 226.23
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H10O3
  IUPAC Name: 3-hydroxy-4-methylbenzo[c]chromen-6-one
  Canonical SMILES: CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)O
  InChI: InChI=1S/C14H10O3/c1-8-12(15)7-6-10-9-4-2-3-5-11(9)14(16)17-13(8)10/h2-7,15H,1H3
  InChIKey: LAVHXGNOROFSCU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5348729
  TTD ID: D0WP6A

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor beta (ESR2)	TTOM3J0	ESR2_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
Estrogen receptor beta (ESR2)	DTT	ESR2	2.09E-01	-0.06	-0.17

References

• [1] 6H-Benzo[c]chromen-6-one derivatives as selective ERbeta agonists. Bioorg Med Chem Lett. 2006 Mar 15;16(6):1468-72.