NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundOleandrigeninsarmentoside
NPACT-IdNPACT00829
IUPAC-
Synonyms-
PubChem Id-
ClassSteroids
In-vitro anticancer activity 10 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMQGAQKMBIRDVKG-YTUAXCDESA-N
InChi1S/C34H52O8/c1-19-20(2)41-30(15-27(19)38-6)40-17-22-9-11-32(4)24(13-22)7-8-26-25(32)10-12-33(5)31(23-14-29(36)39-18-23)28(42-21(3)35)16-34(26,33)37/h14,19-20,22,24-28,30-31,37H,7-13,15-18H2,1-6H3/t19-,20+,22-,24+,25-,26+,27-,28-,30+,31-,32-,33+,34-/m0/s1
SMILESC1C[C@@H](C[C@@H]2[C@]1([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H]([C@H](C2)OC(=O)C)C1=CC(=O)OC1)C)O)C)CO[C@@H]1O[C@@H]([C@@H]([C@H](C1)OC)C)C
SMART[H][C@@]1([C@H](C[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@@H](CO[C@H]5C[C@H](O[#6])[C@@H]([#6])[C@@H]([#6])O5)CC[C@]4([#6])[C@@]3([H])CC[C@]12[#6])OC([#6])=O)C1=CC(=O)OC1
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   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.