NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-O-[beta-D-glucopyranosyl(1->2)-beta-D-glucuronopyranosyl]olean-12-en-3-beta,22-beta,24-triol
NPACT-IdNPACT00141
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIVKTUXIWDBWGPV-XBNLVRSASA-N
InChi1S/C41H66O14/c1-36(2)16-20-19-8-9-22-38(4)12-11-24(39(5,18-42)21(38)10-13-41(22,7)40(19,6)15-14-37(20,3)23(43)17-36)52-35-31(27(46)26(45)30(53-35)32(49)50)54-34-29(48)25(44)28(47)33(51)55-34/h8,20-31,33-35,42-48,51H,9-18H2,1-7H3,(H,49,50)/t20-,21-,22+,23+
SMILESC1C[C@H]([C@@]([C@H]2[C@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@@](CC2)([C@H](CC(C1)(C)C)O)C)C)C)C)(CO)C)O[C@@H]1O[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
SMART[#6][C@]1([#6])C[C@H](O)[C@]2([#6])CC[C@]3([#6])C(=CC[C@H]4[C@@]5([#6])CC[C@@H](O[C@@H]6O[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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