Ketcher 09172010162D 1   1.00000     0.00000     0

 16 16  0     0  0            999 V2000
    9.9588   -8.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0928   -9.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2268   -8.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3608   -9.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4948   -8.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6287   -9.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7626   -8.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9588   -7.7290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8248   -9.2290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8966   -9.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8966  -10.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0306  -10.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1646  -10.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1646   -9.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0306   -8.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6909   -8.7290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  1  8  2  0     0  0
  1  9  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 10 15  2  0     0  0
  7 10  1  0     0  0
  9 16  1  0     0  0
M  END
> <ID>
CHEBI:156510

> <NAME>
CG-1521

> <DEFINITION>
An enamide resulting from the formal condensation of the carboxy group of (2E,4E,6E)-7-phenylhepta-2,4,6-trienoic acid with the amino group of hydroxylamine. It is an inhibitor of histone deacetylase (HDAC) which exhibits anticancer properties.

> <STAR>
3

> <SYNONYM>
JW-1521; CG-1521; (2E,4E,6E)-N-hydroxy-7-phenyl-2,4,6-heptatrienamide

> <IUPAC_NAME>
(2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide

> <FORMULA>
C13H13NO2

> <MASS>
215.252

> <MONOISOTOPIC_MASS>
215.09463

> <CHARGE>
0

> <SMILES>
ONC(=O)\C=C\C=C\C=C\C1=CC=CC=C1

> <INCHI>
InChI=1S/C13H13NO2/c15-13(14-16)11-7-2-1-4-8-12-9-5-3-6-10-12/h1-11,16H,(H,14,15)/b2-1+,8-4+,11-7+

> <INCHIKEY>
DBBYYRWVNDQECM-CDWOPPGASA-N

> <CAS_REGISTRY_NUMBER>
674767-29-4

> <CHEMIDPLUS>
674767-29-4

> <PUBMED_CITATION>
14741273; 15746940; 17121856; 18398905; 18645003; 18701301; 22159450; 23792638; 24968945; 25755069; 27311644; 30863064

$$$$