NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundPeriplogenin-3-O-[beta-D-glucopyranosyl-(1->4)-beta-D-cymaropyranoside]
NPACT-IdNPACT00853
IUPAC-
Synonyms-
PubChem Id-
ClassSteroids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKWBPKUMWVXUSCA-QQACKFLMSA-N
InChi1S/C36H56O13/c1-18-31(49-32-30(41)29(40)28(39)25(16-37)48-32)24(44-4)14-27(46-18)47-20-5-9-33(2)22-6-10-34(3)21(19-13-26(38)45-17-19)8-12-36(34,43)23(22)7-11-35(33,42)15-20/h13,18,20-25,27-32,37,39-43H,5-12,14-17H2,1-4H3/t18?,20-,21?,22-,23+,24?,25?,27?,2
SMILESC1C[C@@H](C[C@@]2([C@]1([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)(C(CC2)C1=CC(=O)OC1)C)O)C)O)OC1OC(C(C(C1)OC)OC1OC(C(C(C1O)O)O)CO)C
SMART[H][C@@]12CC[C@]3(O)C[C@H](CC[C@]3([#6])[C@@]1([H])CC[C@]1([#6])C(CC[C@]21O)C1=CC(=O)OC1)OC1CC(O[#6])C(OC2OC(CO)C(O)C(O)C2O)C([#6])O1
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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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