BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Flavone

Graphical representations:

Flavone image

Molecular Formula: C15 H10 O2

Natural Isotopic Abundance Mass: 222.2387

Mono-Isotopic Molecular Masses:

  • C12N14: 222.0680795652
  • C13N14: 237.1184021322
  • C12N15: 222.0680795652
  • C13N15: 237.1184021322

InCHi String:

canonical and isomeric SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
2-phenylchromen-4-one

PUBCHEM iupac TRADITIONAL NAME
flavone

PUBCHEM iupac CAS NAME
2-phenyl-1-benzopyran-4-one

PubChem Substance (SID):   144080946   894248   24894806
PubChem Compound (CID):   10680
KEGG: Compound ID   C10043
CAS Registry IDs:   525-82-6
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 525-82-6   MMCD cq_06712   MDL number MFCD00006825   Sigma-Aldrich F2003_SIAL   811 HMDB03075   ZINC ZINC00057674   NMRShiftDB 10016211   ChemDB 3969680   NIST Chemistry WebBook 2305128417

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.