NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundEnt-8,9-Seco-7-alpha-acetoxykaura-8(14),16-dien-9,15-dione
NPACT-IdNPACT00533
IUPAC(2R,4R,9R)-5,5,9-Trimethyl-14-methylene-10,15-dioxotricyclo[11.2.1.04,9]hexadec-1(16)-en-2-yl acetate
Synonyms-
PubChem Id6398570
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHTNGGVARAVBBLP-ZXXZCJBZSA-N
InChi1S/C22H30O4/c1-13-15-7-8-19(24)22(5)10-6-9-21(3,4)18(22)12-17(26-14(2)23)16(11-15)20(13)25/h11,15,17-18H,1,6-10,12H2,2-5H3/t15?,17-,18-,22-/m1/s1
SMILESO([C@@H]1C[C@H]2[C@@](CCCC2(C)C)(C(=O)CC[C@H]2C=C1C(=O)C2=C)C)C(=O)C
SMART[H]C([H])=C1C(=O)C2=C([H])[C@]1([H])C([H])([H])C([H])([H])C(=O)[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])C([H])([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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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