NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMitrekaurenone
NPACT-IdNPACT01267
IUPAC-
Synonyms-
PubChem Id11381465
ClassTerpenoids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyVCCKBMBRVGBEIV-UFUZVNNQSA-N
InChi1S/C20H26O3/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3)15(18)14(16(20)21)23-17(19)22/h12-15H,1,4-10H2,2-3H3/t12-,13+,14-,15+,18+,19-,20+/m1/s1
SMILESO1[C@@H]2[C@H]3[C@]([C@H]4[C@]5(C[C@@H](CC4)C(=C)C5)C2=O)(CCC[C@]3(C1=O)C)C
SMART[H]C([H])=C1/C([H])([H])[C@@]23C(=O)[C@]4([H])OC(=O)[C@]5(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]45[H])[C@]2([H])C([H])([H])C([H])([H])[C@]1([H])C3([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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