General Information of Drug (ID: DMW24JP)

Drug Name
TALAROFLAVONE
Synonyms CHEMBL408995; NCGC00381160-01; NCGC00381160-01_C14H12O6_Spiro[cyclopent-4-ene-1,1'(3'H)-isobenzofuran]-3,3'-dione, 2,4'-dihydroxy-6'-methoxy-5-methyl-
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) 276.24
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C14H12O6
IUPAC Name
5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione
Canonical SMILES
CC1=CC(=O)C(C12C3=C(C(=CC(=C3)OC)O)C(=O)O2)O
InChI
InChI=1S/C14H12O6/c1-6-3-10(16)12(17)14(6)8-4-7(19-2)5-9(15)11(8)13(18)20-14/h3-5,12,15,17H,1-2H3
InChIKey
ISNKGHIHBITAEG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
14824655
TTD ID
D06QWO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Herpes simplex virus DNA polymerase UL30 (HSV UL30) TTIU7X1 DPOL_HHV11 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 1-deoxyrubralactone, a novel specific inhibitor of families X and Y of eukaryotic DNA polymerases from a fungal strain derived from sea algae. Bioorg Med Chem. 2008 Mar 15;16(6):2939-44.