NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound1-alpha,2-alpha-Di-(alpha-methyl)-butanoyl-4-beta-hydrooxy-9-beta-(beta-)furoyloxy-15-acetoxy-beta-dihydroagarofuran
NPACT-IdNPACT01473
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRZKHWBQSRXGRFP-GSIHAPLWSA-N
InChi1S/C32H46O11/c1-9-18(3)26(34)40-23-15-30(8,37)32-14-22(29(6,7)43-32)13-24(41-28(36)21-11-12-38-16-21)31(32,17-39-20(5)33)25(23)42-27(35)19(4)10-2/h11-12,16,18-19,22-25,37H,9-10,13-15,17H2,1-8H3/t18?,19?,22-,23+,24+,25+,30+,31-,32+/m1/s1
SMILES[C@@H]1([C@H]([CH][C@@]([C@]23[C@@]1([C@H](C[C@H]([CH]2)C(O3)(C)C)OC(=O)c1ccoc1)COC(=O)C)(O)C)OC(=O)C(C)CC)OC(=O)C(C)CC
SMART[H]C1[C@H]2C[C@H](OC(=O)C3=COC=C3)[C@]3(COC([#6])=O)[C@@H](OC(=O)C([#6])C[#6])[C@@H](OC(=O)C([#6])C[#6])C([H])[C@]([#6])(O)[C@@]13O[C@]2([#6])[#6]
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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