NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound10-Epi-olguine
NPACT-IdNPACT00029
IUPAC[(2R,3S)-2-[(2S,3S)-3-[(E,3R,4S)-3,4-diacetyloxypent-1-enyl]oxiran-2-yl]-6-oxo-2,3-dihydropyran-3-yl]acetate
Synonyms-
PubChem Id6442294
ClassOxygen heterocycles
In-vitro anticancer activity 7 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWSMOXQBLJXEQNX-GMHYHFCSSA-N
InChi1S/C18H22O9/c1-9(23-10(2)19)13(24-11(3)20)5-6-15-17(26-15)18-14(25-12(4)21)7-8-16(22)27-18/h5-9,13-15,17-18H,1-4H3/b6-5+/t9-,13+,14-,15-,17-,18+/m0/s1
SMILESO1[C@@H]([C@@H]1/C=C/[C@@H](OC(=O)C)[C@@H](OC(=O)C)C)[C@@H]1OC(=O)C=C[C@@H]1OC(=O)C
SMART[H]C(=C([H])[C@]1([H])O[C@]1([H])[C@]1([H])OC(=O)C([H])=C([H])[C@]1([H])OC(=O)C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[H]
CAS No.137893-86-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C106024
HIT   -
NCI-60 GI50 data   -
Suppliers 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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