NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundcandenatenin C
NPACT-IdNPACT00426
IUPAC(4R)-4-hydroxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]cyclohex-2-en-1-one
Synonyms-
PubChem Id44254877
ClassFlavonoid
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWJIWNOUBPSGZMZ-MQDFFIGUSA-N
InChi1S/C16H18O3/c1-19-15-7-3-2-5-13(15)6-4-10-16(18)11-8-14(17)9-12-16/h2-8,11,18H,9-10,12H2,1H3/b6-4+/t16-/m1/s1
SMILESO[C@]1(CCC(=O)C=C1)C/C=C/c1c(OC)cccc1
SMART[#6]OC1=CC=CC=C1C=CC[C@]1(O)CCC(=O)C=C1
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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