NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CompoundN6-isopentenyladenine
NPACT-IdNPACT00795
IUPACN-(3-methylbut-2-enyl)-7H-purin-6-amine
SynonymsIsopentenyladenine; Dimethylallyladenine; Isopentenyl adenine; N-(3-Methyl-2-butenyl)adenine; N6-Dimethylallyladenine; N6-(3-Methyl-2-butenyl)adenine; N(6)-dimethylallyladenine; N(6)-(delta(2)-Isopentenyl)adenine; 6-(gamma,gamma-Dimethylallylamino)purine; N6-(2-Isopentenyl)-adenine; N-(delta2-Isopentenyl)adenine; N-(3-Methyl-2-butenyl)-1H-purin-6-amine; N6-(delta2-Isopentenyl)adenine; N6-(delta2-Isopentenyl)aminopurine; N-(gamma,gamma-Dimethylallyl)adenine; 6-((3-Methyl-2-butenyl)amino)purine; 6-[(3-Methyl-2-butenyl)amino]purine; N6-Delta2-isopentenyladenine; N6-(delta2-Isopentenyl)-adenine
PubChem Id92180
ClassUnknown
In-vitro anticancer activtiy 8 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHYVABZIGRDEKCD-UHFFFAOYSA-N
InChi1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
SMILESN(c1ncnc2nc[nH]c12)CC=C(C)C
SMART[H]N(C1=NC([H])=NC2=C1N([H])C([H])=N2)C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H]
CAS No.2365-40-4
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Biosynth, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, MP Biomedicals, TimTec, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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