NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundHyperforin
NPACT-IdNPACT00667
IUPAC(1R,5R,6R,7S)-2-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-2-ene-4,9-dione
Synonymshiperforina;hyperforine
PubChem Id441298
ClassTerpenoids
In-vitro anticancer activtiy 10 cancer cell lines
In-Vivo anticancer activtiy Yes
TargetsAKT1 | CASP3 | CASP9 |   All | 
Properties Physical   Elemental  Topological
InChi KeyKGSZHKRKHXOAMG-HQKKAZOISA-N
InChi1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,37H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1
SMILESO=C1[C@]2([C@@]([C@H](C[C@@]1(C(=C(C2=O)CC=C(C)C)O)CC=C(C)C)CC=C(C)C)(CCC=C(C)C)C)C(=O)C(C)C
SMART[H]OC1=C(C(=O)[C@@]2(C(=O)[C@]([H])(C([H])([H])[H])C([H])([H])[H])C(=O)[C@]1(C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]([H])(C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H]
CAS No.11079-53-1
Structure
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Cross Refrence in other databases
Super Natural   011079531
CTD   C001654
HIT   C0275
NCI-60 GI50 data   -
Suppliers Ambinter, Calbiochem, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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