NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound6-methoxy-tremetone
NPACT-IdNPACT00191
IUPAC1-[(2R)-6-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone
Synonyms-
PubChem Id10585660
ClassBenzofuranoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIYMJMWNDRCWQPW-GFCCVEGCSA-N
InChi1S/C14H16O3/c1-8(2)12-6-10-5-11(9(3)15)14(16-4)7-13(10)17-12/h5,7,12H,1,6H2,2-4H3/t12-/m1/s1
SMILESO1[C@H](Cc2c1cc(OC)c(c2)C(=O)C)C(=C)C
SMART[#6]OC1=C(C=C2C[C@@H](OC2=C1)C([#6])=C)C([#6])=O
CAS No.-
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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