NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundAlpha-Curcumene
NPACT-IdNPACT00233
IUPAC(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Synonyms(R)-(-)-curcumene
PubChem Id442360
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsCASP3 | CASP7 | CASP8 | CASP9 |   All | 
Properties Physical   Elemental  Topological
InChi KeyVMYXUZSZMNBRCN-CQSZACIVSA-N
InChi1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1
SMILES[C@@H](CCC=C(C)C)(c1ccc(cc1)C)C
SMART[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]
CAS No.4176-17-4
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C086829
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.