NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundUvaribonin
NPACT-IdNPACT01002
IUPAC[(1R,3R)-3,13-dihydroxy-1-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-15-(2-methyl-5-oxo-2H-furan-4-yl)pentadecyl] acetate
Synonyms-
PubChem Id24761041
ClassPolyketides
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBIODFBOSASJNMO-QLRBQNDPSA-N
InChi1S/C39H70O8/c1-4-5-6-7-8-9-10-14-17-20-23-35(43)36-26-27-37(47-36)38(46-31(3)40)29-34(42)22-19-16-13-11-12-15-18-21-33(41)25-24-32-28-30(2)45-39(32)44/h28,30,33-38,41-43H,4-27,29H2,1-3H3/t30?,33?,34-,35-,36-,37-,38-/m1/s1
SMILESO1[C@H](CC[C@@H]1[C@H](O)CCCCCCCCCCCC)[C@H](OC(=O)C)C[C@H](O)CCCCCCCCC[C@H](O)CCC1=C[C@H](OC1=O)C
SMART[H]O[C@]([H])(C([H])([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])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(OC(=O)C([H])([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])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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