NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBeta-d-glucopyranosyl-oleanolate
NPACT-IdNPACT00322
IUPAC(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
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 KeyHTXJQLSQSLATAL-OTFFHSELSA-N
InChi1S/C36H58O9/c1-31(2)14-16-36(30(42)45-44-29-28(41)27(40)26(39)22(19-37)43-29)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(38)32(3,4)23(33)10-13-35(24,34)7/h8,21-29,37-41H,9-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34-,35-,36+/m1/s1
SMILESC1C[C@H](C([C@@H]2[C@@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)OO[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O)C)C)C)(C)C)O
SMART[#6][C@]1([#6])CC[C@@]2(CC[C@]3([#6])C(=CC[C@H]4[C@]5([#6])CC[C@@H](O)[C@]([#6])([#6])[C@H]5CC[C@@]34[#6])[C@H]2C1)C(=O)OO[C@H]1O[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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