NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
Compound9,13-diacetyltaxumairol W
NPACT-IdNPACT01107
IUPAC-
Synonyms-
PubChem Id44567148
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyDVKJQAGUQIUCRQ-XUJHPIQJSA-N
InChi1S/C32H44O14/c1-14-21(41-15(2)33)12-31(29(8,9)39)24(14)25(43-17(4)35)27(44-18(5)36)30(10)22(42-16(3)34)11-23-32(13-40-23,46-20(7)38)26(30)28(31)45-19(6)37/h21-23,25-28,39H,11-13H2,1-10H3/t21-,22-,23+,25+,26-,27-,28-,30-,31-,32-/m0/s1
SMILESO1[C@H]2[C@](OC(=O)C)([C@@H]3[C@]([C@@H](OC(=O)C)C2)([C@@H](OC(=O)C)[C@H](OC(=O)C)C2=C([C@@H](OC(=O)C)C[C@]2([C@H]3OC(=O)C)C(O)(C)C)C)C)C1
SMART[H]O[C@](C([H])([H])[H])(C([H])([H])[H])[C@]12C(=C(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])C1([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]1(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@@]3([H])OC([H])([H])[C@@]3(OC(=O)C([H])([H])[H])[C@@]1([H])[C@]2([H])OC(=O)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.