NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta-O-[beta-D-quinovopyranosyl-(1->2)-alpha-L-arabinopyranosyl]hederagenin 28-O-[alpha-L-rhamnopyranosyl(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl]ester.
NPACT-IdNPACT01560
IUPAC-
Synonyms-
PubChem Id-
ClassSaponin
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWLFNVNXHUDPBGD-NRPCALCESA-N
InChi1S/C59H98O27/c1-23-32(62)37(67)46(48(75)78-23)84-52-42(72)36(66)41(71)51(86-52)82-31-12-13-55(5)29(56(31,6)22-61)11-14-58(8)30(55)10-9-25-26-19-54(3,4)15-17-59(26,18-16-57(25,58)7)53(76)85-45-34(64)27(20-60)80-49(43(45)73)77-21-28-33(63)35(65)40(70)50(81-
SMILESC1C[C@@H]([C@@](C2[C@]1(C1[C@@](CC2)([C@]2(C(CC1)C1[C@@]([CH]C2)(CCC(C1)(C)C)C(=O)OC1[C@H]([C@H](O[C@H](CO)[C@H]1O)OC[C@H]1O[C@H](OC2[C@@H](O[C@H]([C@@H]([C@@H]2O)O)O)C)[C@H](O)[C@H](O)[C@H]1O)O)C)C)C)(C)CO)OC1[C@@H](O)[C@H]([C@@H]([C@H](O1)OC1[C@H]([C@@H]([C@H](O[C@@H]1O)C)O)O)O)O
SMART[H]C1C[C@]2([#6])C(CCC3[C@@]4([#6])CC[C@H](OC5O[C@H](OC6[C@@H](O)O[C@H]([#6])[C@@H](O)[C@@H]6O)[C@@H](O)[C@H](O)[C@@H]5O)[C@@]([#6])(CO)C4CC[C@@]23[#6])C2C[C@]([#6])([#6])CC[C@]12C(=O)OC1[C@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](OC3[C@H]([#6])O[C@@H](O)[C@H](O)[C@@H]3O)[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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