Details of the Drug

General Information of Drug (ID: DMD3BEQ)

Drug Name
ERIODICTYOL
Synonyms
(+/-)-Eriodictyol; 4049-38-1; MLS000877024; 5,7,3',4'-Tetrahydroxyflavanone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one; SMR000440624; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one; Eriodictyol, (+/-)-; Eriodicytol; ERIODYCTOL; Flavanone, 3',4',5,7-tetrahydroxy-; AC1L1WLT
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 288.25
Topological Polar Surface Area (xlogp) 2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H12O6
IUPAC Name
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Canonical SMILES
C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
InChIKey
SBHXYTNGIZCORC-ZDUSSCGKSA-N
Cross-matching ID
PubChem CID
440735
ChEBI ID
CHEBI:28412
CAS Number
552-58-9
TTD ID
D08AIJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cytochrome P450 1B1 (CYP1B1) TTI84H7 CP1B1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Selective inhibition of methoxyflavonoids on human CYP1B1 activity. Bioorg Med Chem. 2010 Sep 1;18(17):6310-5.
2 Design, synthesis, and discovery of novel trans-stilbene analogues as potent and selective human cytochrome P450 1B1 inhibitors. J Med Chem. 2002 Jan 3;45(1):160-4.