chalcone

• chalcone
• bmse000704 - data

InCHi String:
InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+

canonical SMILES:
C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2
isomeric SMILES:
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2


PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(E)-1,3-diphenylprop-2-en-1-one

PUBCHEM iupac CAS NAME
(E)-1,3-diphenyl-2-propen-1-one



PubChem Substance (SID):   111677840   48422037   17396581
PubChem Compound (CID):   637760
KEGG: Compound ID   C01484
CAS Registry IDs:   94-41-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 11970_FLUKA   ChEBI CHEBI:48965   EPA DSSTox 22531   BindingDB 29143   NIST Chemistry WebBook 1722821931   Comparative Toxicogenomics Database D002599   NIST 2168011149   MMCD cq_00974   MDL MFCD00003082