NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMultidione
NPACT-IdNPACT00784
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXBFZOHMYMWZROB-XOKHGSTOSA-N
InChi1S/C20H28O3/c1-12-10-15(7-9-18(12)22)19(23)13(2)11-17-16(20(17,4)5)8-6-14(3)21/h7,9-10,13,16-17,22H,6,8,11H2,1-5H3/t13-,16+,17-/m1/s1
SMILESc1(c(ccc(c1)C(=O)[C@@H](C[C@@H]1[C@@H](C1(C)C)CCC(=O)C)C)O)C
SMART[H][C@]1(CCC([#6])=O)[C@@]([H])(C[C@@H]([#6])C(=O)C2=CC([#6])=C(O)C=C2)[C@@]1([#6])[#6]
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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