NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundTaiwaniaquinone E
NPACT-IdNPACT01529
IUPACmethyl(4aS,9R,9aS)-8-hydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluorene-9-carboxylate
Synonyms-
PubChem Id46881290
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRNEHPGKHMXYLIX-LTBCBRHQSA-N
InChi1S/C21H28O5/c1-10(2)11-15(22)12-13(19(25)26-6)18-20(3,4)8-7-9-21(18,5)14(12)17(24)16(11)23/h10,13,18,22H,7-9H2,1-6H3/t13-,18-,21+/m0/s1
SMILESO(C(=O)[C@@H]1[C@@H]2[C@](CCCC2(C)C)(C2=C1C(=C(C(=O)C2=O)C(C)C)O)C)C
SMART[#6]OC(=O)[C@@H]1[C@@H]2[C@]([#6])(CCCC2([#6])[#6])C2=C1C(O)=C(C([#6])[#6])C(=O)C2=O
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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