NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCalamistrin F
NPACT-IdNPACT00370
IUPAC(2S)-4-[(3R,15R)-3,15-dihydroxy-15-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxynonyl]oxolan-2-yl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one
Synonyms-
PubChem Id10031846
ClassPolyketides
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyORSYGIAIOCQPJE-LUVUIASKSA-N
InChi1S/C37H66O7/c1-3-4-5-6-13-16-19-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)20-17-14-11-9-7-8-10-12-15-18-30(38)22-21-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30+,31-,32+,33+,34+,35+,36+/m0/s1
SMILESO1[C@@H]([C@@H]2O[C@H](CC2)[C@@H](O)CCCCCCCC)CC[C@@H]1[C@H](O)CCCCCCCCCCC[C@@H](O)CCC1=C[C@@H](OC1=O)C
SMART[#6]CCCCCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCC[C@@H](O)CCC1=C[C@H]([#6])OC1=O
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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