NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundCoriaheptocin A
NPACT-IdNPACT00438
IUPAC(2S)-4-[(2R,5R)-2,5-dihydroxy-5-[(2R,5S)-5-[(1S,3R,5S,8R,9R)-1,3,5,8,9-pentahydroxyhenicosyl]oxolan-2-yl]pentyl]-2-methyl-2H-furan-5-one
Synonyms-
PubChem Id44566648
ClassPolyketides
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLHVHDMHDABWGLD-WSXZSMFPSA-N
InChi1S/C35H64O10/c1-3-4-5-6-7-8-9-10-11-12-13-29(39)30(40)16-14-27(37)22-28(38)23-32(42)34-19-18-33(45-34)31(41)17-15-26(36)21-25-20-24(2)44-35(25)43/h20,24,26-34,36-42H,3-19,21-23H2,1-2H3/t24-,26+,27-,28+,29+,30+,31+,32-,33-,34-/m0/s1
SMILESO1[C@@H](CC[C@H]1[C@H](O)CC[C@@H](O)CC1=C[C@@H](OC1=O)C)[C@@H](O)C[C@H](O)C[C@@H](O)CC[C@@H](O)[C@H](O)CCCCCCCCCCCC
SMART[#6]CCCCCCCCCCC[C@@H](O)[C@H](O)CC[C@H](O)C[C@@H](O)C[C@H](O)[C@@H]1CC[C@H](O1)[C@H](O)CC[C@@H](O)CC1=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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