Mrv0541 05061309192D          

 18 21  0  0  0  0            999 V2000
    2.9358    4.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8992    0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5657    2.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712    0.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8962    0.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5636    2.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4038    2.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837    4.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511    3.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8962    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4038    0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8186    1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5636    0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488    1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8163    3.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4032    1.1515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3706    1.1515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  9  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  2  1  0  0  0  0
 14  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  1  0  0  0  0
 15  7  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 13  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM030433

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=COC2=C1CC1OC1(C)CCC1OC1(C)C2

> <INCHI_IDENTIFIER>
InChI=1S/C15H20O3/c1-9-8-16-11-7-15(3)12(17-15)4-5-14(2)13(18-14)6-10(9)11/h8,12-13H,4-7H2,1-3H3

> <INCHI_KEY>
FNQFNSGVMLMZNV-UHFFFAOYSA-N

> <FORMULA>
C15H20O3

> <MOLECULAR_WEIGHT>
248.3175

> <EXACT_MASS>
248.141244506

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
27.319708813025976

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadeca-1(12),14-diene

> <ALOGPS_LOGP>
2.90

> <JCHEM_LOGP>
2.5100574626666665

> <ALOGPS_LOGS>
-3.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7335826223028854

> <JCHEM_POLAR_SURFACE_AREA>
38.2

> <JCHEM_REFRACTIVITY>
67.80489999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.88e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadeca-1(12),14-diene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Glechomafuran

> <CAS>
38146-67-7

$$$$