NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBuddledin A
NPACT-IdNPACT00352
IUPAC(1S,5E,8R,9R)-8-hydroxy-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-7-one
Synonyms-
PubChem Id5477391
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySXWKLEULMBLXJM-FLIBITNWSA-N
InChi1S/C17H24O3/c1-10-7-6-8-11(2)15(19)16(20-12(3)18)14-13(10)9-17(14,4)5/h8,13-14,16H,1,6-7,9H2,2-5H3/b11-8-
SMILESO([C@@H]1[C@@H]2C(C[C@@H]2C(=C)CCC=C(C1=O)C)(C)C)C(=O)C
SMART[H]C([H])=C1C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])/C(=O)[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2([H])[C@]1([H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])([H])[H]
CAS No.62346-20-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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