Mrv0541 02241216512D          

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M  END
> <DATABASE_ID>
FDB000398

> <DATABASE_NAME>
foodb

> <SMILES>
COC1=CC2=C(C=C1OC)C1=C(OC)C(OC)=CC3=C1C(=NC=C3)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3

> <INCHI_KEY>
ZYKCETVKVRJFGD-UHFFFAOYSA-N

> <FORMULA>
C20H17NO5

> <MOLECULAR_WEIGHT>
351.3527

> <EXACT_MASS>
351.110672659

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
36.603217377994824

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one

> <ALOGPS_LOGP>
2.79

> <JCHEM_LOGP>
2.6335479920000004

> <ALOGPS_LOGS>
-3.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
3.664616863381739

> <JCHEM_POLAR_SURFACE_AREA>
66.88000000000001

> <JCHEM_REFRACTIVITY>
95.48579999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.53e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB000398

> <GENERIC_NAME>
Oxoglaucine

$$$$