Marvin  12191214152D          

 23 24  0  0  0  0            999 V2000
   -4.2152  -16.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2163  -17.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5269  -18.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8359  -17.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8387  -16.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5287  -16.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1267  -16.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4074  -16.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6912  -16.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0281  -16.8816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6944  -15.6426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7401  -16.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4594  -16.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1756  -16.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8916  -16.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6031  -16.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6045  -15.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800  -15.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1674  -15.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3160  -15.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0358  -15.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9330  -16.4825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9344  -18.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
  6  1  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
  5  7  1  0  0  0  0
 14 15  2  0  0  0  0
  3  4  2  0  0  0  0
 15 16  1  0  0  0  0
  7  8  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
  8  9  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
  4  5  1  0  0  0  0
 17 20  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  1  0  0  0  0
  2  3  1  0  0  0  0
  1 22  1  0  0  0  0
  9 11  2  0  0  0  0
  2 23  1  0  0  0  0
M  END
> <ID>
CHEBI:65700

> <NAME>
Cuscuta propenamide 1

> <DEFINITION>
An enamide obtained by the formal condensation of 4-methoxyphenylethylamine with trans-caffeic acid. It is isolated from Cuscuta reflexa and displays strong inhibitory activity against α-glucosidase (EC 3.2.1.20).

> <STAR>
3

> <SYNONYM>
7'-(3',4'-dihydroxyphenyl)-N-[(4-methoxyphenyl)ethyl]propenamide

> <IUPAC_NAME>
(2E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide

> <FORMULA>
C18H19NO4

> <MASS>
313.34780

> <MONOISOTOPIC_MASS>
313.13141

> <CHARGE>
0

> <SMILES>
COc1ccc(CCNC(=O)\C=C\c2ccc(O)c(O)c2)cc1

> <INCHI>
InChI=1S/C18H19NO4/c1-23-15-6-2-13(3-7-15)10-11-19-18(22)9-5-14-4-8-16(20)17(21)12-14/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+

> <INCHIKEY>
JRKPLTBLTYEYJJ-WEVVVXLNSA-N

> <REAXYS_REGISTRY_NUMBER>
9145353

> <PUBMED_CITATION>
11824569

$$$$