NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBuddledin C
NPACT-IdNPACT00354
IUPAC4-[(13S)-2,13-dihydroxy-13-[(2S,5S)-5-[(2S,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
Synonyms-
PubChem Id5352042
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKXSUIPOSVGSLQP-PGJRDNSLSA-N
InChi1S/C15H22O/c1-10-6-5-7-11(2)14(16)8-13-12(10)9-15(13,3)4/h7,12-13H,1,5-6,8-9H2,2-4H3/b11-7+/t12-,13-/m1/s1
SMILESO=C1C[C@H]2C(C[C@@H]2C(=C)CCC=C1C)(C)C
SMART[H]C([H])=C1/C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C(=O)C([H])([H])[C@]2([H])[C@]1([H])C([H])([H])[C@]2(C([H])([H])[H])C([H])([H])[H]
CAS No.62346-22-9
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   62346-22-9
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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