NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta-O-(alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl-olean-12-ene-28-O-(beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl)ester
NPACT-IdNPACT01559
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 KeyVCWBIRAXNDVRRP-KPKJWSFNSA-N
InChi1S/C60H100O23/c1-11-31-32(77-50-43(69)40(66)39(65)33(24-61)78-50)22-26(2)49(76-31)83-54(73)60-20-18-55(4,5)23-29(60)28-12-13-35-57(8)16-15-36(56(6,7)34(57)14-17-59(35,10)58(28,9)19-21-60)79-53-47(38(64)30(62)25-74-53)81-52-45(71)46(37(63)27(3)75-52)80-51-
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[C@H](C(O1)CC)OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(C)C)OC1OC[C@H]([C@H]([C@@H]1OC1O[C@@H]([C@H]([C@@H]([C@@H]1O)O[C@@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)O)O)C)O)O
SMART[#6]CC1O[C@@H](OC(=O)[C@]23CC[C@@]([#6])([#6])CC2C2CCC4[C@@]5([#6])CC[C@H](OC6OC[C@@H](O)[C@@H](O)[C@@H]6OC6O[C@H]([#6])[C@@H](O)[C@H](O[C@@H]7O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O)[C@]([#6])([#6])C5CC[C@@]4([#6])[C@]2([#6])CC3)C([#6])C[C@H]1OC1O[C@H](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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