NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound1-alpha,2-alpha,6-beta,15-tetraacetoxy-3-alpha-(alpha-methyl)-butanoyl-4-beta-hydroxy-9-beta-(beta-)furoyloxy-beta-dihydroagarofuran
NPACT-IdNPACT01444
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBYBJUXIBJSBJBJ-OACZAUHCSA-N
InChi1S/C36H50O15/c1-10-19(2)31(41)50-30-25(15-45-20(3)37)27(16-46-21(4)38)35(18-48-23(6)40)29(49-32(42)24-11-12-44-14-24)13-26-28(17-47-22(5)39)36(35,34(30,9)43)51-33(26,7)8/h11-12,14,19,25-30,43H,10,13,15-18H2,1-9H3/t19?,25-,26-,27+,28-,29+,30-,34+,35+,36+/m
SMILES[C@@H]1([C@H]([C@H]([C@@]([C@]23[C@@]1([C@H](C[C@H]([C@H]2COC(=O)C)C(C)(O3)C)OC(=O)c1ccoc1)COC(=O)C)(O)C)OC(=O)C(CC)C)COC(=O)C)COC(=O)C
SMART[#6]CC([#6])C(=O)O[C@@H]1[C@H](COC([#6])=O)[C@H](COC([#6])=O)[C@@]2(COC([#6])=O)[C@H](C[C@@H]3[C@@H](COC([#6])=O)[C@]2(O[C@@]3([#6])[#6])[C@@]1([#6])O)OC(=O)C1=COC=C1
CAS No.-
Structure
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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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