Mrv1652303192001303D          

 15 17  0  0  0  0            999 V2000
   -2.1436    2.3437    0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4974   -1.5464   -1.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6751   -1.7070    0.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1303   -0.0546   -1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4812   -1.6537    0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1100    2.3762   -0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6257   -0.1452    0.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4673    2.0251    0.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0132    1.6586    0.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2027   -1.7944   -0.1616 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2220    0.3406    0.9760 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6178    0.6058    0.6814 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3484   -0.7579    0.4957 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7604   -0.2243   -0.3071 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1786   -0.4724   -0.1189 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
  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  6  0  0  0
 14 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000305

> <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-RKQHYHRCSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.748098767656785

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000305

> <GENERIC_NAME>
allo-Aromadendrene

$$$$