NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundFriedelin
NPACT-IdNPACT00586
IUPAC4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
SynonymsFriedelan-3-one;4,4a,6b,8a,11,11,12b,14a-octamethylicosahydropicen-3(2h)-one;Friedlein
PubChem Id244297
ClassTerpenoids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyOFMXGFHWLZPCFL-UHFFFAOYSA-N
InChi1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3
SMILESO=C1[C@H]([C@@]2([C@H]([C@@]3([C@@H]([C@]4([C@@]([C@@H]5[C@@](CC4)(CCC(C5)(C)C)C)(CC3)C)C)CC2)C)CC1)C)C
SMART[H]C([H])([H])[C@]1([H])C(=O)C([H])([H])C([H])([H])[C@]2([H])[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1([H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H]
CAS No.559-74-0
Structure
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Cross Refrence in other databases
Super Natural   000559740
CTD   C060796
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, ChemFrog, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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