Mrv1652303192001393D          

 15 17  0  0  0  0            999 V2000
    3.4295    0.3703   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6105   -0.3668    1.6062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2809   -0.0466    1.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9674   -0.6936   -1.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9488    2.3588   -0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3661    1.7990   -1.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3263   -1.6441    0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9421   -1.8733   -0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5518   -0.5957    0.1327 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5058    0.1444    0.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1547   -0.6593   -0.4215 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3594    1.0821    0.6105 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7459    0.4258   -1.4946 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4712    0.6307   -0.5703 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5763   -0.5065   -0.6548 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  2  0  0  0  0
 15  4  1  6  0  0  0
  5  6  1  0  0  0  0
 12  5  1  6  0  0  0
 13  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
 11  9  1  1  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 14 11  1  1  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000484

> <DATABASE_NAME>
CDB

> <SMILES>
CC(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@H]([C@@H]13)C2=C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)10(3)12-5-6-13(15)14(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15+/m1/s1

> <INCHI_KEY>
VOBBUADSYROGAT-FQKPHLNHSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.735300305818726

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2R,3R,6R,8R)-6-methyl-7-methylidene-3-(propan-2-yl)tricyclo[4.4.0.0^{2,8}]decane

> <ALOGPS_LOGP>
4.12

> <JCHEM_LOGP>
4.1460638329999995

> <ALOGPS_LOGS>
-4.91

> <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>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.52e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,3R,6R,8R)-3-isopropyl-6-methyl-7-methylidenetricyclo[4.4.0.0^{2,8}]decane

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000484

> <GENERIC_NAME>
(+)-Sativene

$$$$