NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta-[(O-beta-D-Glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl(1->2)-alpha-L-arabinopyranosyl)oxy]lup-20(29)-en-28-oic acid
NPACT-IdNPACT00120
IUPAC-
Synonyms-
PubChem Id-
ClassSaponin
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIOCLFHXWLJHEBE-GXAMMVQDSA-N
InChi1S/C46H74O16/c1-20(2)23-10-15-46(42(55)56)17-16-44(6)25(30(23)46)8-9-29-43(5)13-12-26(21(3)24(43)11-14-45(29,44)7)59-41-38(62-37-31(48)22(4)58-39(54)36(37)53)33(50)28(19-57-41)61-40-35(52)34(51)32(49)27(18-47)60-40/h21-41,47-54H,1,8-19H2,2-7H3,(H,55,56)/t
SMILESC1C[C@@H]([C@@H]([C@H]2[C@]1([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@@H](CC[C@@]1(CC2)C(=O)O)C(=C)C)C)C)C)C)O[C@H]1OC[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H]([C@@H]([C@@H](O[C@H]2[C@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O)[C@@H]1O)O)C)O)O
SMART[H][C@]1([#6])[C@H](CC[C@@]2([#6])[C@H]1CC[C@]1([#6])[C@@H]2CC[C@@H]2[C@H]3[C@@H](CC[C@@]3(CC[C@@]12[#6])C(O)=O)C([#6])=C)O[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@@H]([#6])[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
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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