NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound[3]-dehydroparadol
NPACT-IdNPACT01056
IUPAC-
Synonyms1-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-;(E)-1-(4-hydroxy-3-methoxyphenyl)dec-1-en-3-one;
PubChem Id6438480
ClassOrganic chemical
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAXMBOMODZLJDKX-PKNBQFBNSA-N
InChi1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h9-13,19H,3-8H2,1-2H3/b11-9+
SMILESO=C(CCCCCCC)/C=C/c1cc(OC)c(O)cc1
SMART[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C(/[H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])=C1[H]
CAS No.53172-10-4
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C088509
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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