NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta-O-(alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl)-hederagenin-28-O-(beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl)ester
NPACT-IdNPACT01562
IUPAC-
Synonyms-
PubChem Id-
ClassSaponin
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXRLUJXJAMGCVRM-LOVGWOQZSA-N
InChi1S/C54H88O21/c1-24-34(59)29(20-55)70-44(35(24)60)73-42-30(21-56)71-46(41(66)39(42)64)75-48(67)54-17-15-49(3,4)19-27(54)26-9-10-32-50(5)13-12-33(51(6,23-57)31(50)11-14-53(32,8)52(26,7)16-18-54)72-47-43(37(62)28(58)22-68-47)74-45-40(65)38(63)36(61)25(2)69-4
SMILESC1C[C@@H]([C@@](C2[C@]1(C1[C@@](CC2)([C@]2(C(=CC1)C1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1C(C([C@H](C(O1)CO)OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)C)O)O)O)C)C)C)(C)CO)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])C3CC=C3C5C[C@]([#6])([#6])CC[C@@]5(CC[C@@]43[#6])C(=O)O[C@@H]3OC(CO)[C@H](OC4O[C@H](CO)[C@@H](O)[C@H]([#6])[C@H]4O)C(O)C3O)[C@]2([#6])CO)[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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