NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundtaiwanin E
NPACT-IdNPACT01342
IUPAC-
Synonyms9-(1,3-benzodioxol-5-yl)-5-hydroxy-6H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one, 5-(1,3-benzodioxol-5-yl)-9-hydroxy-;
PubChem Id493164
ClassLignans
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNOS2 |   All | 
Properties Physical   Elemental  Topological
InChi KeyYYFMUDJSHVYJGD-UHFFFAOYSA-N
InChi1S/C20H12O7/c21-19-11-5-16-15(26-8-27-16)4-10(11)17(18-12(19)6-23-20(18)22)9-1-2-13-14(3-9)25-7-24-13/h1-5,21H,6-8H2
SMILESO1Cc2c(c(c3c(c2O)cc2OCOc2c3)c2cc3OCOc3cc2)C1=O
SMART[H]OC1=C2C(C(=O)OC2([H])[H])=C(C2=C([H])C3=C(OC([H])([H])O3)C([H])=C2[H])C2=C([H])C3=C(OC([H])([H])O3)C([H])=C12
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
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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