Mrv1902 02011922182D          

 21 23  0  0  0  0            999 V2000
   -3.0937    0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -1.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2189    1.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3004    1.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2687    0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8562   -0.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -0.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812    0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8562   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187    0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312   -0.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437   -0.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8562    0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062    0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187   -0.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437    1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187   -1.8351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187    1.0227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  8  7  2  0  0  0  0
 12  2  1  0  0  0  0
 12  7  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  1  0  0  0  0
 13 10  2  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18 14  1  0  0  0  0
 18 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19  3  1  0  0  0  0
 19  4  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
> <DATABASE_ID>
DB14736

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCC1=CC(O)=C2C(OC(C)(C)C3=C2C=C(C)C=C3)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3

> <INCHI_KEY>
SVTKBAIRFMXQQF-UHFFFAOYSA-N

> <FORMULA>
C19H22O2

> <MOLECULAR_WEIGHT>
282.383

> <EXACT_MASS>
282.161979948

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
33.481578278971256

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6,6,9-trimethyl-3-propyl-6H-benzo[c]chromen-1-ol

> <ALOGPS_LOGP>
5.61

> <JCHEM_LOGP>
5.523593693666667

> <ALOGPS_LOGS>
-4.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.318551965781628

> <JCHEM_PKA_STRONGEST_BASIC>
-4.922118860962297

> <JCHEM_POLAR_SURFACE_AREA>
29.46

> <JCHEM_REFRACTIVITY>
86.53429999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.67e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cannabigerol

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB14736

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Cannabivarin

> <SYNONYMS>
Cannabivarol; CBV

$$$$