NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound8-Gingerol
NPACT-IdNPACT00204
IUPAC5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
Synonyms8-Gingerol ;3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl);5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
PubChem Id5275725
ClassOrganic chemical
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBCIWKKMTBRYQJU-UHFFFAOYSA-N
InChi1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3
SMILESO[C@@H](CCCCCCC)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])C([H])([H])C([H])([H])[H]
CAS No.23513-08-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C534464
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemFrog, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   No
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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