NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound1-deoxy-3-methacrylyl-11-methoxymeliacarpinin
NPACT-IdNPACT00056
IUPAC-
Synonyms-
PubChem Id5316567
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBEIWMOACIUFCEW-ISUNUAPVSA-N
InChi1S/C32H42O12/c1-15(2)22(33)42-17-8-9-29-14-41-31(38-7,24(34)37-6)23(29)27(4)21(19-20(29)26(17,3)13-40-19)44-28(5)16-12-18(32(27,28)36)43-25-30(16,35)10-11-39-25/h10-11,16-21,23,25,35-36H,1,8-9,12-14H2,2-7H3/t16?,17-,18?,19?,20?,21?,23?,25?,26?,27?,28?,29?
SMILESO1[C@H]2[C@@]([C@@H]3[C@]4([C@@H]5[C@@H]2OC[C@]5([C@@H](OC(=O)C(=C)C)CC4)C)CO[C@]3(OC)C(=O)OC)([C@]2(O)[C@]1([C@@H]1C[C@H]2O[C@H]2OC=C[C@]12O)C)C
SMART[H]O[C@]12C([H])=C([H])O[C@]1([H])O[C@]1([H])C([H])([H])[C@@]2([H])[C@]2(O[C@]3([H])[C@@]4([H])OC([H])([H])[C@]5(C([H])([H])[H])[C@]4([H])[C@@]4(C([H])([H])O[C@](OC([H])([H])[H])(C(=O)OC([H])([H])[H])[C@]4([H])[C@@]3(C([H])([H])[H])[C@@]12O[H])C([H])([H])C([H])([H])[C@]5([H])OC(=O)C(=C([H])[H])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

 






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