NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound1,3-diacetylvilasinin
NPACT-IdNPACT00026
IUPAC-
Synonyms-
PubChem Id44566526
ClassTerpenoids
In-vitro anticancer activtiy 6 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWGBLBVXSYGYVPN-DBWCOQHTSA-N
InChi1S/C30H40O7/c1-16(31)36-22-13-23(37-17(2)32)30(6)21-9-11-27(3)19(18-10-12-34-14-18)7-8-20(27)29(21,5)26(33)24-25(30)28(22,4)15-35-24/h8,10,12,14,19,21-26,33H,7,9,11,13,15H2,1-6H3/t19-,21-,22+,23-,24-,25-,26+,27-,28+,29-,30-/m0/s1
SMILESO1[C@H]2[C@@H]3[C@@]([C@@H]4[C@@]([C@@H]2O)(C2=CC[C@H]([C@@]2(CC4)C)c2ccoc2)C)([C@@H](OC(=O)C)C[C@@H](OC(=O)C)[C@]3(C1)C)C
SMART[H]O[C@]1([H])[C@@]2([H])OC([H])([H])[C@@]3(C([H])([H])[H])[C@@]2([H])[C@](C([H])([H])[H])([C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@@]3([H])OC(=O)C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]3(C(=C([H])C([H])([H])[C@@]3([H])C3=C([H])OC([H])=C3[H])[C@]12C([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   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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