Mrv1652303192001433D          

 15 17  0  0  0  0            999 V2000
    2.4116    2.0592   -0.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0947   -2.5536   -1.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4344   -0.6811    0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4644   -0.4677   -1.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5847   -1.4207    0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1420    2.6561   -0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5342   -0.0990    1.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1198    1.8502   -0.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3178    1.7501   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1258   -1.7868    0.2095 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2757    0.5677    0.8225 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5040    0.9316    0.6246 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3988   -0.4644    0.0773 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9259   -0.3997    0.7264 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2227   -0.3248    0.1103 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000561

> <DATABASE_NAME>
CDB

> <SMILES>
C[C@H]1CC[C@@H]2[C@@H]1[C@H]1[C@@H](CCC2=C)C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11-,12+,13+,14+/m0/s1

> <INCHI_KEY>
ITYNGVSTWVVPIC-ODXJTPSBSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.978120292685578

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1aR,4aR,7S,7aR,7bS)-1,1,7-trimethyl-4-methylidene-decahydro-1H-cyclopropa[e]azulene

> <ALOGPS_LOGP>
3.70

> <JCHEM_LOGP>
4.1460638329999995

> <ALOGPS_LOGS>
-4.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
64.6954

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.37e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1aR,4aR,7S,7aR,7bS)-1,1,7-trimethyl-4-methylidene-octahydro-1aH-cyclopropa[e]azulene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000561

> <GENERIC_NAME>
Aromadendrene

$$$$