NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundEmoroidocarpan
NPACT-IdNPACT00524
IUPAC-
Synonyms-
PubChem Id46939886
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJDLWWTGCAJYSSZ-ZSDSOXJFSA-N
InChi1S/C21H18O5/c1-10(2)15-4-11-3-13-17(6-16(11)25-15)22-8-14-12-5-19-20(24-9-23-19)7-18(12)26-21(13)14/h3,5-7,14-15,21H,1,4,8-9H2,2H3/t14-,15+,21-/m0/s1
SMILESO1[C@@H]2[C@H](c3c1cc1OCOc1c3)COc1c2cc2C[C@@H](Oc2c1)C(=C)C
SMART[H]C([H])=C(C([H])([H])[H])[C@]1([H])OC2=C([H])C3=C(C([H])=C2C1([H])[H])[C@]1([H])OC2=C([H])C4=C(OC([H])([H])O4)C([H])=C2[C@]1([H])C([H])([H])O3
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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