Mrv1652303192001393D          

 16 18  0  0  0  0            999 V2000
   -0.8662   -2.6740    0.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.4390   -1.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100   -1.1326    1.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6336    2.6039   -0.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6316   -1.2596   -0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5803    0.2711   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322    1.4657    1.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3174    2.3857    0.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1802   -1.6748   -0.8025 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2738    0.4385    0.2063 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7292    0.5528   -0.0534 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3533   -0.4346   -0.5526 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8463   -0.6904    0.2755 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2259   -0.7944   -0.0629 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0071    1.8418    0.4024 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8268    2.2586    1.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000480

> <DATABASE_NAME>
CDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10-,11+,12-,13-,15-/m0/s1

> <INCHI_KEY>
AYXPYQRXGNDJFU-WBSYEDSCSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.372

> <EXACT_MASS>
222.198365457

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
27.334577442157514

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1aR,4S,4aS,7S,7aR,7bR)-1,1,4,7-tetramethyl-decahydro-1H-cyclopropa[e]azulen-4-ol

> <ALOGPS_LOGP>
3.15

> <JCHEM_LOGP>
3.1785024189999995

> <ALOGPS_LOGS>
-4.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5138122997029483

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
66.60000000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.27e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1aR,4S,4aS,7S,7aR,7bR)-1,1,4,7-tetramethyl-octahydro-1aH-cyclopropa[e]azulen-4-ol

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000480

> <GENERIC_NAME>
(-)-Globulol

$$$$