NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundinuloidin
NPACT-IdNPACT01236
IUPAC-
Synonyms2H-Cyclohepta(b)furan-2-one, 3,3a,4,5,8,8a-hexahydro-4-hydroxy-6-(3-hydroxypropyl)-5,7-dimethyl-3-methylene-, 6-acetate, (+)-;3-(4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)propyl acetate;;
PubChem Id10059834
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyTZQJUIQPFZWYSD-UHFFFAOYSA-N
InChi1S/C15H20O2/c1-8(2)11-6-15(17)10(4)12-7-14(16)9(3)5-13(11)12/h5,7-8,11,15-17H,4,6H2,1-3H3
SMILESOC1CC(C(C)C)c2c(C1=C)cc(O)c(c2)C
SMART[#6]C([#6])C1CC(O)C(=C)C2=CC(O)=C([#6])C=C12
CAS No.33627-41-7
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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