NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound3-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranosyl(1->2)-beta-D-glucuronopyranosyl]olean-12-en-3-beta,22-beta,24-triol methyl ester
NPACT-IdNPACT00137
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyPQZZWDLMYVGODK-HOFTWDLRSA-N
InChi1S/C41H66O15/c1-35(2)15-20-19-9-10-22-36(3)13-12-24(37(4,17-42)21(36)11-14-39(22,6)40(19,7)52-18-38(20,5)23(43)16-35)55-41(8)31(27(46)26(45)30(56-41)32(49)50)53-34-29(48)25(44)28(47)33(51)54-34/h9,20-31,33-34,42-48,51H,10-18H2,1-8H3,(H,49,50)/t20-,21+,22-
SMILESC1C[C@H]([C@@]([C@H]2[C@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CO2)([C@@H](CC(C1)(C)C)O)C)C)C)C)(CO)C)O[C@]1(O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)O)C(=O)O)C
SMART[#6][C@]1([#6])C[C@@H](O)[C@]2([#6])CO[C@]3([#6])C(=CC[C@H]4[C@@]5([#6])CC[C@@H](O[C@@]6([#6])O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](O)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@]([#6])(CO)[C@@H]5CC[C@@]34[#6])[C@@H]2C1
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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