Mrv1652307301919592D          

 21 23  0  0  0  0            999 V2000
    2.0064    1.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0064    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2919    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5775    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8515    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7209    0.1768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7209   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5659   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5659    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2804    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9949    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7795    0.4317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2644   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7795   -0.9032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9949   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2804   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB000449

> <DATABASE_NAME>
foodb

> <SMILES>
O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1

> <INCHI_IDENTIFIER>
InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+

> <INCHI_KEY>
MXXWOMGUGJBKIW-YPCIICBESA-N

> <FORMULA>
C17H19NO3

> <MOLECULAR_WEIGHT>
285.3377

> <EXACT_MASS>
285.136493479

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
32.318273106862364

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one

> <JCHEM_LOGP>
2.777311050333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.13200194795020026

> <JCHEM_POLAR_SURFACE_AREA>
38.77

> <JCHEM_REFRACTIVITY>
82.90299999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
bioperine

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB000449

> <GENERIC_NAME>
Piperine

$$$$