NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundIsocarthamidin
NPACT-IdNPACT00671
IUPAC5,7,8-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Synonyms-
PubChem Id5315720
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyNUNODKNZSZKXGY-UHFFFAOYSA-N
InChi1S/C15H12O6/c16-8-3-1-7(2-4-8)12-6-10(18)13-9(17)5-11(19)14(20)15(13)21-12/h1-5,12,16-17,19-20H,6H2
SMILESO1[C@H](CC(=O)c2c1c(O)c(O)cc2O)c1ccc(O)cc1
SMARTOC1=CC=C(C=C1)[C@H]1CC(=O)C2=C(O1)C(O)=C(O)C=C2O
CAS No.529-53-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C012808
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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