NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(1S,5S,6R,7S,9R,10S)-5-Methylbutanoyloxy-1,4,9-trihydroxy-2-oxoxanth-11-en-6,12-olide
NPACT-IdNPACT01445
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyCFNPAWULBAZKEI-HNLLVTNLSA-N
InChi1S/C20H30O8/c1-6-9(2)18(24)28-17-16-13(11(4)19(25)27-16)8-14(22)12(5)20(17,26)15(23)7-10(3)21/h9-10,12-14,16-17,21-22,26H,4,6-8H2,1-3,5H3/t9?,10?,12-,13?,14+,16+,17-,20?/m0/s1
SMILES[C@H]1(C([C@H]([C@H]2C(C[C@H]1O)C(=C)C(=O)O2)OC(=O)C(C)CC)(O)C(=O)CC(C)O)C
SMART[H][C@@]1(O)CC2[C@@H](OC(=O)C2=C)[C@H](OC(=O)C([#6])C[#6])C(O)([C@H]1[#6])C(=O)CC([#6])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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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