NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundcandenatenin D
NPACT-IdNPACT00428
IUPAC(3S,4R)-4-hydroxy-3-methoxy-4-[(E)-3-phenylprop-2-enyl]cyclohexan-1-one
Synonyms-
PubChem Id44254878
ClassFlavonoid
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKFMVODFIRJNHQI-TWZSPHTKSA-N
InChi1S/C16H20O3/c1-19-15-12-14(17)9-11-16(15,18)10-5-8-13-6-3-2-4-7-13/h2-8,15,18H,9-12H2,1H3/b8-5+/t15-,16-/m0/s1
SMILESO[C@@]1([C@@H](OC)CC(=O)CC1)C/C=C/c1ccccc1
SMART[#6]O[C@H]1CC(=O)CC[C@@]1(O)CC=CC1=CC=CC=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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