NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundCurcusone E
NPACT-IdNPACT00468
IUPAC[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl](4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGLIADXUPICDEPH-ZTTBQOKTSA-N
InChi1S/C20H24O3/c1-10(2)14-7-6-11(3)16-15(14)8-12(4)19(22)20(23)9-13(5)18(21)17(16)20/h8-9,14-17,23H,1,3,6-7H2,2,4-5H3/t14-,15-,16-,17+,20-/m0/s1
SMILESC12C(=O)C(=CC1(C(=O)C(=C[C@@H]1[C@@H]2C(=C)CC[C@H]1C(=C)C)C)O)C
SMART[H][C@@]12C=C([#6])C(=O)[C@]3(O)C=C([#6])C(=O)[C@H]3[C@@]1([H])C(=C)CC[C@H]2C([#6])=C
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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