NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCedronolactones A
NPACT-IdNPACT00407
IUPAC-
Synonyms-
PubChem Id11754814
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKYZOEAVZQJUNIL-DQVMPRLHSA-N
InChi1S/C25H34O9/c1-10(2)6-15(27)34-17-19-24(5)21(30)16(28)18-23(4)12(11(3)7-13(26)20(23)29)8-14(33-22(17)31)25(18,19)9-32-24/h7,10,12,14,16-21,28-30H,6,8-9H2,1-5H3/t12-,14+,16+,17+,18+,19-,20+,21-,23-,24-,25+/m0/s1
SMILESO1[C@]2([C@H]3[C@]4([C@@H]([C@@]5([C@@H](C[C@H]4OC(=O)[C@@H]3OC(=O)CC(C)C)C(=CC(=O)[C@H]5O)C)C)[C@@H](O)[C@@H]2O)C1)C
SMART[H]O[C@]1([H])C(=O)C([H])=C(C([H])([H])[H])[C@]2([H])C([H])([H])[C@@]3([H])OC(=O)[C@]([H])(OC(=O)C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4([H])[C@@]5(OC([H])([H])[C@]34[C@]([H])([C@@]([H])(O[H])[C@]5([H])O[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   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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