NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound6-Gingerol
NPACT-IdNPACT00187
IUPAC(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
Synonymsgingerol ;6-Gingerol ;(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one ;[6]-Gingerol
PubChem Id442793
ClassSimple aromatic natural products
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity Yes
TargetsAPAF1 | BAX | BCL2 | CASP3 | CASP9 | CYCS | DUSP10 | LTA4H | MMP2 | MMP9 | TIMP1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyNLDDIKRKFXEWBK-AWEZNQCLSA-N
InChi1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1
SMILESO[C@@H](CCCCC)CC(=O)CCc1cc(OC)c(O)cc1
SMART[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CAS No.23513-14-6
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C007845
HIT   C0350
NCI-60 GI50 data   -
Suppliers ABI Chem, Amadis Chemical, Ambinter, ChemMol, IS Chemical Technology, ZINC, 
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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