NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
Compoundcalopocarpin
NPACT-IdNPACT01155
IUPAC-
Synonyms-
PubChem Id11709595
ClassFlavonoid
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyCYXCYFYWIZXENQ-JXFKEZNVSA-N
InChi1S/C20H20O4/c1-11(2)3-4-12-7-15-18(9-17(12)22)23-10-16-14-6-5-13(21)8-19(14)24-20(15)16/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/m0/s1
SMILESO1[C@@H]2[C@H](c3c1cc(O)cc3)COc1c2cc(c(O)c1)CC=C(C)C
SMART[H]OC1=C([H])C2=C(C([H])=C1[H])[C@]1([H])C([H])([H])OC3=C(C([H])=C(C(O[H])=C3[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@]1([H])O2
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers Ambinter, MolPort, Therapeutic Targets Database, ZINC, 
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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