NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundN6-isopentenyladenosine
NPACT-IdNPACT00796
IUPAC2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol
SynonymsRiboprine; N6-2-Isopentenyladenosine; Dimethylallyladenosine; N-Isopentenyladenosine; Isopentenyl adenine riboside; N6-(2-Isopentenyl)adenosine; n-(3-methylbut-2-en-1-yl)-9-pentofuranosyl-9h-purin-6-amine; N-(3-Methyl-2-butenyl)adenosine; N-6-(2-Isopentenyl)adenosine; N-6(.delta.-2-isopentenyl)adenosine; N6-(.DELTA.2-Isopentenyl)adenosine; 6-(.gamma.,.gamma.-Dimethylallylamino)purine riboside; 6-N-[(3-Methyl-2-butenyl)amino]-9.beta.-D-ribofuranosylpurine; 6-N-[(3-Methyl-2-butenyl)amino]-9-.beta.-D-ribofuranosyl-9H-purine
PubChem Id266767
ClassUnknown
In-vitro anticancer activtiy 8 cancer cell lines
In-Vivo anticancer activtiy No
TargetsCASP3 | CCND1 | CCNE1 | CDKN1A | CDKN1B | CycA | MAPK8 |   All | 
Properties Physical   Elemental  Topological
InChi KeyUSVMJSALORZVDV-UHFFFAOYSA-N
InChi1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)
SMILESO1[C@H](n2c3ncnc(NCC=C(C)C)c3nc2)[C@@H](O)[C@H](O)[C@H]1CO
SMART[H]OC([H])([H])[C@@]1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CAS No.7724-76-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   7724-76-7
Suppliers AAA Chemistry, ABI Chem, ChemFrog, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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