NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundHonokiol
NPACT-IdNPACT00665
IUPAC2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
Synonyms3,5'-Diallyl-4,2'-dihydroxybiphenyl
PubChem Id72303
ClassLignans
In-vitro anticancer activtiy 6 cancer cell lines
In-Vivo anticancer activtiy Yes
TargetsCASP3 | CASP8 | CASP9 | NFKB1 | PARP1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyFVYXIJYOAGAUQK-UHFFFAOYSA-N
InChi1S/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
SMILESOc1c(c2cc(c(O)cc2)CC=C)cc(CC=C)cc1
SMART[H]OC1=C(C([H])=C(C([H])=C1[H])C([H])([H])C([H])=C([H])[H])C1=C([H])C(=C(O[H])C([H])=C1[H])C([H])([H])C([H])=C(/[H])[H]
CAS No.35354-74-6
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C005499
HIT   C0277
NCI-60 GI50 data   35354-74-6
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, Calbiochem, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, NIH Clinical Collection, Selleck Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Vitas-M Laboratory, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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