Mrv1652303192001383D          

 15 16  0  0  0  0            999 V2000
   -2.5983   -1.5276   -0.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5202   -2.2479    1.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8693   -0.7662    0.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    3.1542   -0.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6353    1.2434   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8117    1.5524   -0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7817    1.2719   -1.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6107    0.5536    0.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5831   -0.9136    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7007   -1.8175    0.2170 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6474   -0.1791    0.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3961    1.9229   -0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7871   -0.6298    0.5648 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3779    0.8226   -1.1700 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2679   -0.4779   -0.4459 C   0  0  1  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
 14  7  1  1  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
 15  9  1  1  0  0  0
 13 10  1  6  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000471

> <DATABASE_NAME>
CDB

> <SMILES>
CC(C)[C@@H]1CCC(=C)[C@H]2CCC(C)=C[C@@H]12

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m0/s1

> <INCHI_KEY>
WRHGORWNJGOVQY-ZNMIVQPWSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
26.198640587429225

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,4aS,8aR)-7-methyl-4-methylidene-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene

> <ALOGPS_LOGP>
4.48

> <JCHEM_LOGP>
4.506281368000001

> <ALOGPS_LOGS>
-4.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
67.52590000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.94e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4S,4aR,8aS)-4-isopropyl-6-methyl-1-methylidene-3,4,4a,7,8,8a-hexahydro-2H-naphthalene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000471

> <GENERIC_NAME>
Gamma-Muurolene

$$$$