NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundErybreadin C
NPACT-IdNPACT01200
IUPAC-
Synonyms-
PubChem Id21147013
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySAXBNTXROWQAKX-CPJSRVTESA-N
InChi1S/C25H28O4/c1-14(2)5-7-16-11-19-20-13-28-24-17(8-6-15(3)4)21(26)10-9-18(24)25(20)29-23(19)12-22(16)27/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3/t20-,25-/m0/s1
SMILESO1[C@@H]2[C@H](c3c1cc(O)c(c3)CC=C(C)C)COc1c2ccc(O)c1CC=C(C)C
SMART[H]OC1=C([H])C2=C(C([H])=C1C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@]1([H])C([H])([H])OC3=C(C([H])=C([H])C(O[H])=C3C([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 Therapeutic Targets Database, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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