NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCoriadienin
NPACT-IdNPACT00437
IUPAC(2S)-4-[(2R,5R)-2,5-dihydroxy-5-[(2S,5S)-5-[(1S,3R,5S,8R,9R)-1,3,5,8,9-pentahydroxyhenicosyl]oxolan-2-yl]pentyl]-2-methyl-2H-furan-5-one
Synonyms(+)-Coriadienin
PubChem Id6442220
ClassPolyketides
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZUDUTMXXOVZHHX-VKRJBFOFSA-N
InChi1S/C37H66O6/c1-3-4-5-6-7-8-9-13-16-22-27-35(40)36(41)28-23-17-14-11-10-12-15-19-24-33(38)25-20-18-21-26-34(39)30-32-29-31(2)43-37(32)42/h12,14-15,17,29,31,33-36,38-41H,3-11,13,16,18-28,30H2,1-2H3/b15-12+,17-14+
SMILESO[C@@H](CCCCCCCCCCCC)[C@@H](O)CC/C=C/CC/C=C/CC[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])=C(/[H])C([H])([H])C([H])([H])C([H])=C(/[H])C([H])([H])C([H])([H])[C@]([H])(O[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.176111-70-9
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C100861
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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