NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundWeisiensin A
NPACT-IdNPACT01380
IUPAC-
Synonyms(3|A,5|A,7|A,9xi,10xi,11|A)-3,6-dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate
PubChem Id377386
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQTLPNFQMZWBMDF-QWOINNSUSA-N
InChi1S/C26H36O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(34-13(3)28)9-17(30)24(5,6)21(25)19(31)23(35-14(4)29)26(20,10-15)22(11)32/h15-21,23,30-31H,1,8-10H2,2-7H3/t15?,16-,17-,18?,19?,20?,21+,23-,25?,26?/m0/s1
SMILESO([C@@H]1C23C(C4([C@H](C1O)C([C@@H](O)CC4OC(=O)C)(C)C)C)[C@@H](OC(=O)C)CC(C2)C(=C)C3=O)C(=O)C
SMART[H]O[C@@]1([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]2(C([H])([H])[H])[C@@]3([H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@@]4([H])C(=C(/[H])[H])C(=O)[C@@]3(C4([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(O[H])[C@]2([H])[C@@]1(C([H])([H])[H])C([H])([H])[H]
CAS No.120028-82-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C466221
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, Kingston Chemistry, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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