NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGlossogin
NPACT-IdNPACT00629
IUPAC1`-acetoxy-4-O-isovalyryleugenol
Synonyms-
PubChem Id-
ClassSimple aromatic natural products
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsBAD | BAX | BCL2 | BCL2L1 | CASP3 | CASP9 | CYCS |   All | 
Properties Physical   Elemental  Topological
InChi KeyQVEDFISOTIQASL-AWEZNQCLSA-N
InChi1S/C17H22O5/c1-6-14(21-12(4)18)13-7-8-15(16(10-13)20-5)22-17(19)9-11(2)3/h6-8,10-11,14H,1,9H2,2-5H3/t14-/m0/s1
SMILESc1c(c(cc(c1)[C@@H](OC(=O)C)C=C)OC)OC(=O)CC(C)C
SMART[#6]OC1=C(OC(=O)C[C@@H]([#6])[#6])C=CC(=C1)[C@@H](OC([#6])=O)C=C
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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