NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundarteglasin A
NPACT-IdNPACT01140
IUPAC-
Synonyms(3ar,4s,7ar,8as,8bs,8cs)-6,8a-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,7,7a,8a,8b,8c-decahydrooxireno[2,3]azuleno[4,5-b]furan-4-yl acetate;Arteglasin A;Oxireno(2,3)azuleno(4,5-b)furan-2(3H)-one, 4-(acetyloxy)-3a,4,5,7,7a,8a,8b,8c-octahydro-6,8a-dimethyl-3-methylene-, (3aR-(3aalpha,4alpha,7abeta,8abeta,8balpha,8cbeta))-
PubChem Id169494
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIJNUSISHBLGZMG-JMZZHWKLSA-N
InChi1S/C17H20O5/c1-7-5-11(20-9(3)18)13-8(2)16(19)21-15(13)14-10(7)6-12-17(14,4)22-12/h11-15H,2,5-6H2,1,3-4H3/t11-,12+,13+,14-,15-,17+/m0/s1
SMILESO1[C@]2([C@H]3C(=C(C[C@H](OC(=O)C)[C@@H]4[C@@H]3OC(=O)C4=C)C)C[C@@H]12)C
SMART[H]C([H])=C1/C(=O)O[C@@]2([H])[C@@]1([H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])C(=C1C([H])([H])[C@@]3([H])O[C@@]3(C([H])([H])[H])[C@]21[H])C([H])([H])[H]
CAS No.33204-39-6
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Kingston Chemistry, 
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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