NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundMagnolol
NPACT-IdNPACT01258
IUPAC-
Synonyms2,2'-Bichavicol;5,5'-Diallyl-2,2'-dihydroxybiphenyl;5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol;(1,1'-Biphenyl)-2,2'-diol, 5,5'-di-2-propenyl-;Dehydrodichavicol;
PubChem Id72300
ClassLignans
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity Yes
TargetsCDK2 | CDKN1A |   All | 
Properties Physical   Elemental  Topological
InChi KeyVVOAZFWZEDHOOU-UHFFFAOYSA-N
InChi1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
SMILESOc1c(c2cc(CC=C)ccc2O)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(O[H])C([H])=C([H])C(=C1[H])C([H])([H])C([H])=C([H])[H]
CAS No.528-43-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C005498
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, AKos Consulting & Solutions, Ambinter, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, Oakwood Products, Selleck Chemicals, Sigma-Aldrich, 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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