NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundIlicic acid
NPACT-IdNPACT01233
IUPAC-
Synonyms2-[(4ar,8r)-8-hydroxy-4a,8-dimethyldecahydronaphthalen-2-yl]prop-2-enoic acid;2-[(4aR,8R)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
PubChem Id386212
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFXKCXGBBUBCRPU-BBNOBNGHSA-N
InChi1S/C15H24O3/c1-10(13(16)17)11-5-8-14(2)6-4-7-15(3,18)12(14)9-11/h11-12,18H,1,4-9H2,2-3H3,(H,16,17)/t11?,12?,14-,15-/m1/s1
SMILESO[C@]1(C2[C@@](CCC(C2)C(=C)C(=O)O)(CCC1)C)C
SMART[H]OC(=O)C(=C([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@](O[H])(C([H])([H])[H])[C@]2([H])C1([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C458885
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, 
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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