Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

SQH

Summary
Name:2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one
Synonyms:3',4',7,8-Tetrahydroxyflavone
Formula:C15 H10 O6
Formal charge:0
Formula weight:286.236 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H10O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-6,16-17,19-20H
InChIKeyInChI1.03ARYCMKPCDNHQCL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1O)C2=CC(=O)c3ccc(O)c(O)c3O2
SMILESCACTVS3.385Oc1ccc(cc1O)C2=CC(=O)c3ccc(O)c(O)c3O2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O

223790

PDB entries from 2024-08-14

PDB statisticsPDBj update infoContact PDBjnumon