NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundErybreadin B
NPACT-IdNPACT01199
IUPAC-
Synonyms-
PubChem Id45268827
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXDRMVDDOBVPELW-CYFREDJKSA-N
InChi1S/C25H26O4/c1-14(2)5-6-16-20(26)9-7-18-22(16)27-13-19-15-8-10-21-17(23(15)28-24(18)19)11-12-25(3,4)29-21/h5,7-12,19,24,26H,6,13H2,1-4H3/t19-,24-/m0/s1
SMILESO1[C@@H]2[C@H](c3c1c1c(OC(C=C1)(C)C)cc3)COc1c2ccc(O)c1CC=C(C)C
SMART[H]OC1=C(C2=C(C([H])=C1[H])[C@]1([H])OC3=C(C([H])=C([H])C4=C3C([H])=C([H])[C@](O4)(C([H])([H])[H])C([H])([H])[H])[C@]1([H])C([H])([H])O2)C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
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   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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