NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-O-[beta-D-glucopyranosyl (1->3)-beta-D-galactopyranosyl(1->2)]-beta-D-glucuronopyranosyl-oleanolic acid-28-O-beta-D-glucopyranoside
NPACT-IdNPACT01557
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySAYLBFNMBLIPBJ-OUJSEAFRSA-N
InChi1S/C55H88O24/c1-50(2)14-16-55(49(71)79-48-40(67)37(64)34(61)27(21-58)76-48)17-15-53(6)23(24(55)18-50)8-9-30-52(5)12-11-31(51(3,4)29(52)10-13-54(30,53)7)72-22-28-42(77-46-38(65)35(62)32(59)25(19-56)74-46)43(41(68)44(73-28)45(69)70)78-47-39(66)36(63)33(60)2
SMILESC1(OC(C(C(C1O)O)O)OC1C(C(OC(C1OC1OC(C(C(C1O)O)O)CO)CO[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CC=C2[C@]1(CCC1(C2CC(CC1)(C)C)C(=O)OC1OC(C(C(C1O)O)O)CO)C)C)C)C(=O)O)O)CO
SMART[#6][C@@]1([#6])CCC2(CC[C@]3([#6])C(=CCC4[C@@]5([#6])CC[C@H](OCC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)[C@@]([#6])([#6])C5CC[C@@]34[#6])C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O
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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