NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(1S,5S,6R,7R,8R,9S,10S)-5-Angeloyloxy-8,9-epoxy-1-hydroxy-2-oxoxantha-3,11-dien-6,12-olide
NPACT-IdNPACT01441
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBHTATZDUYXWHPP-BDTQPPBISA-N
InChi1S/C20H24O7/c1-6-8-12(21)20(24)11(5)14-15(25-14)13-10(4)19(23)26-16(13)17(20)27-18(22)9(3)7-2/h6-8,11,13-17,24H,4H2,1-3,5H3/b8-6+,9-7-/t11-,13?,14-,15+,16+,17-,20?/m0/s1
SMILES[C@H]1(C([C@H]([C@H]2C([C@@H]3[C@H]1O3)C(=C)C(=O)O2)OC(=O)/C(=CC)/C)(O)C(=O)/C=C/C)C
SMART[#6]C=CC(=O)C1(O)[C@@H]([#6])[C@@H]2O[C@@H]2C2[C@@H](OC(=O)C2=C)[C@@H]1OC(=O)C([#6])=C/[#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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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