NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundAltaicalarins C
NPACT-IdNPACT00244
IUPAC[(1S,2S,3R,4S,6S)-4-acetyloxy-3-[4-(3,3-dimethyloxiran-2-yl)-3-[(Z)-2-methylbut-2-enoyl]oxybut-1-en-2-yl]-6-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl] (Z)-2-methylbut-2-enoate
Synonyms-
PubChem Id46186620
ClassTerpenoids
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyDAQJZMZCFFUHCO-NAFQNHHTSA-N
InChi1S/C22H30O6/c1-8-13(4)21(25)27-17(10-9-12(2)3)14(5)16-11-18-22(7,28-18)20(24)19(16)26-15(6)23/h8-9,16-19H,5,10-11H2,1-4,6-7H3/b13-8-/t16-,17?,18-,19-,22-/m0/s1
SMILESO1[C@]2([C@@H]1C[C@H]([C@H](OC(=O)C)C2=O)C(=C)[C@@H](OC(=O)/C(=CC)/C)CC=C(C)C)C
SMART[H]C([H])=C(/[C@@]([H])(OC(=O)C(=C([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])[C@]1([H])C([H])([H])[C@]2([H])O[C@]2(C([H])([H])[H])C(=O)[C@@]1([H])OC(=O)C([H])([H])[H]
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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