NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound4-deoxygigantecin
NPACT-IdNPACT00159
IUPAC(2S)-4-[7-[(2R,5S)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
Synonyms-
PubChem Id393463
ClassPolyketides
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAUIKUKHBIJHVLQ-QMSPDADRSA-N
InChi1S/C37H66O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(38)35-25-26-36(44-35)33(40)23-22-32(39)34-24-21-30(43-34)19-16-13-11-12-15-18-29-27-28(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](CC[C@@H]1[C@H](O)CCCCCCCCCCCC)[C@H](O)CC[C@H](O)[C@H]1O[C@@H](CC1)CCCCCCCC1=C[C@@H](OC1=O)C
SMART[#6]CCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CC[C@H](O)[C@@H]1CC[C@@H](CCCCCCCC2=C[C@H]([#6])OC2=O)O1
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C108757
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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