NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound23-Hydroxy-3-beta-[(O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl)oxy]lup-20(29)-en-oic acid
NPACT-IdNPACT00080
IUPAC-
Synonyms-
PubChem Id-
ClassSaponin
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy Yes
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXMWPSJDDVBLPGK-FXWVIHCISA-N
InChi1S/C64H104O31/c1-23(2)26-11-16-64(59(83)95-57-46(79)41(74)45(78)56(94-57)93-55-47(80)42(75)49(29(20-66)88-55)92-53-43(76)39(72)35(68)24(3)86-53)18-17-62(7)27(34(26)64)9-10-32-60(5)14-13-33(61(6,22-67)31(60)12-15-63(32,62)8)90-58-51(91-50-36(69)25(4)85-52(
SMILESC1C[C@@H]([C@@]([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)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O)C)O)O)O
SMART[#6][C@H]1O[C@@H](O)[C@H](O)C(O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3([#6])[C@@H](CC[C@]4([#6])[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43[#6])C(O)=O)C([#6])=C)[C@]2([#6])O)[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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