Mrv1652309042000312D          

 32 33  0  0  0  0            999 V2000
   25.5860  -19.7515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5860  -16.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0121  -18.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7267  -18.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8701  -18.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4412  -18.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1556  -18.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2977  -18.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5846  -18.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5832  -18.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8688  -18.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0121  -19.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2991  -18.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8701  -19.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542  -18.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0136  -18.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4397  -18.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542  -19.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7280  -18.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4426  -18.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7280  -19.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1571  -18.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8715  -18.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5860  -18.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8715  -17.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3005  -18.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3005  -17.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5860  -17.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0380  -18.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0380  -17.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7856  -18.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7856  -17.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  2  0  0  0  0
  2 28  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
> <DATABASE_ID>
CDB005219

> <DATABASE_NAME>
CDB

> <SMILES>
CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC1=CC(=O)C2=CC=CC=C2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H44O2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29(31)27-17-6-7-18-28(27)30(26)32/h6-7,17-19,21-24H,8-16,20H2,1-5H3/b25-19+

> <INCHI_KEY>
UDYIPZFWVJJQJF-NCELDCMTSA-N

> <FORMULA>
C30H44O2

> <MOLECULAR_WEIGHT>
436.6692

> <EXACT_MASS>
436.334130652

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
55.188729904801825

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione

> <ALOGPS_LOGP>
8.38

> <JCHEM_LOGP>
9.300895319

> <ALOGPS_LOGS>
-7.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.479469686844748

> <JCHEM_PKA_STRONGEST_BASIC>
-7.173838497036545

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
138.59969999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.71e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-phytyl-1,4-naphthoquinone

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB005219

> <GENERIC_NAME>
Demethylphylloquinone

$$$$