NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundBuddledin B
NPACT-IdNPACT00353
IUPAC(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one
Synonyms-
PubChem Id44593338
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAXGJIHAKGFPXOX-BFRHVZAJSA-N
InChi1S/C15H22O2/c1-9-6-5-7-10(2)13(16)14(17)12-11(9)8-15(12,3)4/h7,11-12,14,17H,1,5-6,8H2,2-4H3/b10-7+/t11-,12+,14-/m1/s1
SMILESO[C@@H]1[C@H]2C(C[C@@H]2C(=C)CCC=C(C1=O)C)(C)C
SMART[H]O[C@@]1([H])C(=O)C(C([H])([H])[H])=C([H])C([H])([H])C([H])([H])C(=C(/[H])[H])[C@@]2([H])C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]12[H]
CAS No.62346-21-8
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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