Mrv1533004251517012D          

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M  END
> <DATABASE_ID>
CHEM057884

> <DATABASE_NAME>
chemdb

> <SMILES>
OC1=C(CC=C)C=C(C=C1)C1=C(O)C=CC(CC=C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2

> <INCHI_KEY>
FVYXIJYOAGAUQK-UHFFFAOYSA-N

> <FORMULA>
C18H18O2

> <MOLECULAR_WEIGHT>
266.34

> <EXACT_MASS>
266.13067982

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
30.16982615531196

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[4-hydroxy-3-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)phenol

> <ALOGPS_LOGP>
4.70

> <JCHEM_LOGP>
5.210482000666667

> <ALOGPS_LOGS>
-4.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.53958689318358

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.839819945738014

> <JCHEM_PKA_STRONGEST_BASIC>
-6.026182953638078

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
83.73060000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.43e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
honokiol

> <JCHEM_VEBER_RULE>
0

> <NAME>
Honokiol

> <CAS>
35354-74-6

> <SYNONYMS>
-Diallyl-2,4&prime; -Diallyl-2,4′; -dihydroxybiphenyl; -dihydroxydiphenyl; 2-(4-hydroxy-3-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol; 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol; 3',3'-Diallyl-4,6'-dihydroxybiphenyl; 3',5-di(prop-2-en-1-yl)biphenyl-2,4'-diol; 3',5-di-2-propen-1-yl-[1,1'-biphenyl]-2,4'-diol; 3',5-Di-2-propenyl-[1,1'-biphenyl]-2,4'-diol; 3',5-Diallyl-2,4'-biphenyldiol; 3',5-diallyl-[1,1'-biphenyl]-2,4'-diol; 3',5-Diallylbiphenyl-2,4'-diol; 3',5-Dipropenyl-(1,1'-biphenyl)-2,4'-diol; 3',?5-?DI-?2-?PROPEN-?1-?YL-?[1,?1'-?BIPHENYL]-?2,?4'-?DIOL; 3,5'-diallyl-4,2'-dihydroxybiphenyl; 4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol; 4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol; 4-allyl-2-(3-allyl-4-hydroxyphenyl)phenol; 4-phenyl-6,6-bis(prop-2-enyl)cyclohexa-1,3-diene-1,3-diol; 5,3&prime; 5,3''-Diallyl-biphenyl-2,4''-diol; 5,3'-DIALLYL-2,4'-DIHYDROXYBIPHENYL; 5,3'-Diallyl-2,4?-dihydroxybiphenyl; 5,3'-Diallyl-biphenyl-2,4'-diol; 5,3-Diallyl-2,4-dihydroxybiphenyl; 5,3?-Diallyl-2,4?-dihydroxybiphenyl; 5,3′; 5,3′-Diallyl-2,4′-dihydroxybiphenyl; 5,3′-Diallyl-2,4′-dihydroxybiphenyl;  Honokiol,(S); BB_NC-1461; C005499; CHEBI:5759; CPD000387107; DV5096000; Honokiol; honokiol (2.04 g); Honokiol,(S); InChI=1/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H; MLS000759481; MLS001048916; NCGC00163567-01; NCGC00163567-02; NSC 293100; NSC-293100; NSC293100; Podocarpa-8,11,13-triene-3.beta.,12-diol, 13-isopropyl-; SMP2_000040; SMR000387107; UNII-11513CCO0N; UNII:11513CCO0N; [1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propen-1-yl-; [1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propenyl-; [35354-74-6]; {1,1'-Biphenyl]-2,4'-diol, 3,5-di-2-propenyl-

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