Mrv0541 05061306172D          

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M  END
> <DATABASE_ID>
FDB008700

> <DATABASE_NAME>
foodb

> <SMILES>
CC(C)=CCC\C(C)=C\CC1=C(CCC(=O)C2=C(O)C=C(O)C=C2)C=CC(O)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-11-20-18(9-14-23(28)25(20)30)8-13-22(27)21-12-10-19(26)15-24(21)29/h5,7,9-10,12,14-15,26,28-30H,4,6,8,11,13H2,1-3H3/b17-7+

> <INCHI_KEY>
FVNFXIPJDHVJGE-REZTVBANSA-N

> <FORMULA>
C25H30O5

> <MOLECULAR_WEIGHT>
410.5027

> <EXACT_MASS>
410.20932407

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
46.219568725723526

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(2,4-dihydroxyphenyl)-3-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,4-dihydroxyphenyl}propan-1-one

> <ALOGPS_LOGP>
4.93

> <JCHEM_LOGP>
6.633821807

> <ALOGPS_LOGS>
-5.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.163674916109256

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.865170817240478

> <JCHEM_PKA_STRONGEST_BASIC>
-3.908504720692478

> <JCHEM_POLAR_SURFACE_AREA>
97.99000000000001

> <JCHEM_REFRACTIVITY>
121.75269999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.65e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(2,4-dihydroxyphenyl)-3-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,4-dihydroxyphenyl}propan-1-one

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB008700

> <GENERIC_NAME>
2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone

$$$$