NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(1S,5S,6R,7S,10S)-5-Angeloyloxy-1-hydroxy-2-oxoxantha-3,11-dien-6,12-olide
NPACT-IdNPACT01481
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 7 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWZMSNQSBWAAHTM-YCHAIHEASA-N
InChi1S/C20H26O6/c1-6-8-15(21)20(24)12(4)9-10-14-13(5)19(23)25-16(14)17(20)26-18(22)11(3)7-2/h6-8,12,14,16-17,24H,5,9-10H2,1-4H3/b8-6+,11-7-/t12-,14?,16+,17-,20?/m0/s1
SMILES[C@H]1(C([C@H]([C@H]2C([CH][CH]1)C(=C)C(=O)O2)OC(=O)/C(=CC)/C)(C(=O)/C=C/C)O)C
SMART[H]C1C([H])[C@H]([#6])C(O)([C@@H](OC(=O)C([#6])=C/[#6])[C@@H]2OC(=O)C(=C)C12)C(=O)C=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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