NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound4-deoxyasimicin
NPACT-IdNPACT00158
IUPAC(2S)-4-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
Synonyms-
PubChem Id44306490
ClassPolyketides
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyURLVCROWVOSNPT-XOTOMLERSA-N
InChi1S/C37H66O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3/t29-,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)CCCCCCCCCCCCC1=C[C@@H](OC1=O)C
SMART[#6]CCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H]([#6])OC1=O
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C087001
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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