Mrv1652303192001433D          

 15 17  0  0  0  0            999 V2000
   -2.0345    2.7232    0.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241   -2.6092   -0.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4564    0.1199    1.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355   -1.2449   -0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3219   -1.3753    1.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0993    2.3549   -0.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5114    0.0940    0.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2633    1.8249   -0.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0824    1.8678    0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1524   -1.7527    0.2982 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0454    0.5455    0.7115 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5843    0.4741   -1.0581 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5329   -0.4398   -0.2121 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8425   -0.6795   -0.5653 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1195   -0.4623    0.0213 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
 10  2  1  6  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
 11  7  1  6  0  0  0
 12  8  1  1  0  0  0
  9 11  1  0  0  0  0
 13 10  1  1  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  1  0  0  0
M  END
> <DATABASE_ID>
CDB000550

> <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-/m1/s1

> <INCHI_KEY>
ITYNGVSTWVVPIC-XGFWRYKXSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.95677247725948

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000550

> <GENERIC_NAME>
Alloaromadendrene

$$$$