NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundMethylmitrekaurenate
NPACT-IdNPACT01265
IUPAC-
Synonyms-
PubChem Id44606073
ClassTerpenoids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKXRIJKYODUQSSO-XAKDGQKMSA-N
InChi1S/C21H30O6/c1-12-10-21(17(24)25)11-13(12)6-7-14(21)19(2)8-5-9-20(3,18(26)27-4)15(19)16(22)23/h13-15H,1,5-11H2,2-4H3,(H,22,23)(H,24,25)/t13-,14+,15+,19+,20-,21+/m1/s1
SMILESOC(=O)[C@]12[C@H]([C@]3([C@@H]([C@](CCC3)(C)C(=O)OC)C(=O)O)C)CC[C@H](C1)C(=C)C2
SMART[H]OC(=O)[C@]1([H])[C@@](C(=O)OC([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C(=C(/[H])[H])C([H])([H])[C@]1(C(=O)O[H])C2([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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