Mrv1652309042000372D          

 20 21  0  0  0  0            999 V2000
   -1.5319    1.3860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2464    0.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9609    1.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6753    0.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6753    0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9609   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9609   -1.0890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3898    1.3860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2464    0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5319   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174    0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5319   -1.0890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174    0.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1030    1.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6115    0.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3260    1.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1030    2.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6115    2.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3260    2.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0404    2.6235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005180

> <DATABASE_NAME>
CDB

> <SMILES>
OC1=CC=C(\C=C\C(=O)C2=C(O)C=C(O)C=C2O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+

> <INCHI_KEY>
YQHMWTPYORBCMF-ZZXKWVIFSA-N

> <FORMULA>
C15H12O5

> <MOLECULAR_WEIGHT>
272.2528

> <EXACT_MASS>
272.068473494

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
27.36744536621589

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one

> <ALOGPS_LOGP>
2.66

> <JCHEM_LOGP>
3.9760640223333334

> <ALOGPS_LOGS>
-3.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.181889484974233

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.993338146782977

> <JCHEM_PKA_STRONGEST_BASIC>
-6.32703165501334

> <JCHEM_POLAR_SURFACE_AREA>
97.99

> <JCHEM_REFRACTIVITY>
74.8006

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.58e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
naringenin chalcone

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB005180

> <GENERIC_NAME>
Chalconaringenin

$$$$