NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound4-Gingerol
NPACT-IdNPACT00161
IUPAC5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one
Synonyms-
PubChem Id5317596
ClassSimple aromatic natural products
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGDRKZARFCIYVCI-UHFFFAOYSA-N
InChi1S/C15H22O4/c1-3-4-12(16)10-13(17)7-5-11-6-8-14(18)15(9-11)19-2/h6,8-9,12,16,18H,3-5,7,10H2,1-2H3
SMILESO[C@@H](CC(=O)CCc1cc(OC)c(O)cc1)CCC
SMART[#6]CC[C@@H](O)CC(=O)CCC1=CC(O[#6])=C(O)C=C1
CAS No.41743-68-4
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
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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