NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound1-tigloyl-3,20-diacetyl-11-methoxymeliacarpinin
NPACT-IdNPACT00058
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIFDBQDQJQMSEDP-QRCCOTQFSA-N
InChi1S/C37H48O15/c1-10-17(2)27(40)49-22-14-21(48-18(3)38)31(5)15-46-24-25(31)34(22)16-47-36(44-9,29(41)43-8)28(34)32(6)26(24)52-33(7)20-13-23(37(32,33)42)50-30-35(20,11-12-45-30)51-19(4)39/h10-12,20-26,28,30,42H,13-16H2,1-9H3/b17-10+/t20-,21-,22+,23+,24+,25+,
SMILESC1[C@H]([C@@]23[C@H]4[C@@]([C@H]1OC(=O)C)(CO[C@H]4[C@@H]1[C@]([C@H]2[C@@](OC3)(C(=O)OC)OC)(C)[C@@]2([C@](O1)([C@@H]1C[C@H]2O[C@@H]2[C@]1(C=CO2)OC(=O)C)C)O)C)OC(=O)/C(=CC)/C
SMART[#6]OC(=O)[C@]1(O[#6])OC[C@@]23[C@@H]4[C@@H](OC[C@]4([#6])[C@H](C[C@H]2OC(=O)C([#6])=C[#6])OC([#6])=O)[C@H]2O[C@]4([#6])[C@@H]5C[C@@H](O[C@H]6OC=C[C@@]56OC([#6])=O)[C@]4(O)[C@]2([#6])[C@@H]13
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.