NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundReissantins A
NPACT-IdNPACT00897
IUPAC-
Synonyms-
PubChem Id11763527
ClassTerpenoids
In-vitro anticancer activity 7 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyPEFXNCJFEYSZKT-GXNYSBAXSA-N
InChi1S/C33H39NO11/c1-18(35)41-22-15-16-31(5,40)33-26(43-29(39)21-13-14-23(37)34(7)17-21)24(30(3,4)45-33)25(42-19(2)36)27(32(22,33)6)44-28(38)20-11-9-8-10-12-20/h8-14,17,22,24-27,40H,15-16H2,1-7H3/t22-,24+,25-,26+,27-,31-,32-,33-/m0/s1
SMILESO1[C@@]23[C@]([C@@H](OC(=O)c4ccccc4)[C@@H](OC(=O)C)[C@H]([C@H]2OC(=O)c2cn(c(=O)cc2)C)C1(C)C)([C@@H](OC(=O)C)CC[C@@]3(O)C)C
SMART[H]O[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2(C([H])([H])[H])[C@@]([H])(OC(=O)C3=C([H])C([H])=C([H])C([H])=C3[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]3([H])[C@@]([H])(OC(=O)C4=C([H])N(C(=O)C([H])=C4[H])C([H])([H])[H])[C@]12O[C@@]3(C([H])([H])[H])C([H])([H])[H]
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

 






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