NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
CompoundAnnoglaucin
NPACT-IdNPACT00262
IUPAC(2S)-4-[(6R,13R)-13-[(2R,5R)-5-[(1R,3S)-1,3-dihydroxytridecyl]oxolan-2-yl]-6,13-dihydroxy-10-oxotridecyl]-2-methyl-2H-furan-5-one
Synonyms-
PubChem Id44575506
ClassPolyketides
In-vitro anticancer activtiy 7 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQFFLFGFTHVFFDL-GIPZGXSBSA-N
InChi1S/C37H66O8/c1-3-4-5-6-7-8-9-13-19-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-15-14-17-29(38)16-11-10-12-18-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30+,31-,32+,33+,34+,35+,36+/m0/s1
SMILESO1[C@@H]([C@@H]2O[C@H](CC2)[C@@H](O)CCCCCCCCCC)CC[C@@H]1[C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC1=C[C@@H](OC1=O)C
SMART[H]O[C@@]([H])(C([H])([H])C1=C([H])[C@@]([H])(OC1=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@]1([H])O[C@]([H])(C([H])([H])C1([H])[H])[C@]1([H])O[C@]([H])(C([H])([H])C1([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])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   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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