Mrv1652307312018222D          

 24 25  0  0  0  0            999 V2000
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    7.9690   -1.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 13  9  1  0  0  0  0
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 22 14  1  0  0  0  0
 23  5  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000042

> <DATABASE_NAME>
CDB

> <SMILES>
CCCCCC1=CC(OC)=C2C=CC(C)(CCC=C(C)C)OC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C22H32O2/c1-6-7-8-11-18-15-20(23-5)19-12-14-22(4,24-21(19)16-18)13-9-10-17(2)3/h10,12,14-16H,6-9,11,13H2,1-5H3

> <INCHI_KEY>
KSDSETBZUIJIFF-UHFFFAOYSA-N

> <FORMULA>
C22H32O2

> <MOLECULAR_WEIGHT>
328.496

> <EXACT_MASS>
328.24023027

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
40.9302431849669

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-methoxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromene

> <ALOGPS_LOGP>
7.75

> <JCHEM_LOGP>
6.745562006666665

> <ALOGPS_LOGS>
-6.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.580468753379767

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
104.08539999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.53e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-methoxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentylchromene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000042

> <GENERIC_NAME>
Cannabichromene monomethylether

$$$$