NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound3-beta-O-(alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl)-lup-20(29)-ene-28-O-beta-D-glucopyranosyl ester
NPACT-IdNPACT01547
IUPAC-
Synonyms-
PubChem Id-
ClassSaponin
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBKEJCFWUZDNUMD-XFQPGHIBSA-N
InChi1S/C47H76O16/c1-21(2)23-11-16-47(42(57)63-40-37(56)35(54)33(52)26(19-48)60-40)18-17-45(7)24(30(23)47)9-10-28-44(6)14-13-29(43(4,5)27(44)12-15-46(28,45)8)61-41-38(32(51)25(49)20-58-41)62-39-36(55)34(53)31(50)22(3)59-39/h22-41,48-56H,1,9-20H2,2-8H3/t22-,23+
SMILESC1C[C@@H](C(C2[C@]1(C1[C@@](CC2)([C@]2(C(CC1)C1[C@@H](CC[C@@]1(CC2)C(=O)O[C@H]1C(C([C@@H](C(O1)CO)O)O)O)C(=C)C)C)C)C)(C)C)OC1OC[C@H]([C@H]([C@@H]1OC1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)C)O)O
SMART[#6][C@H]1OC(O[C@H]2[C@H](O)[C@H](O)COC2O[C@H]2CC[C@@]3([#6])C(CC[C@]4([#6])C3CCC3C5[C@@H](CC[C@@]5(CC[C@@]43[#6])C(=O)O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)C([#6])=C)[C@]2([#6])[#6])[C@@H](O)[C@@H](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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