NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundArctiin
NPACT-IdNPACT00274
IUPAC-
SynonymsArctigenin-4-glucoside ;arctiin(8ci) ;Arctiin (8CI)
PubChem Id100528
ClassLignans
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsCCND1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyXOJVHLIYNSOZOO-SWOBOCGESA-N
InChi1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1
SMILESO1C[C@@H]([C@@H](Cc2cc(OC)c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)cc2)C1=O)Cc1cc(OC)c(OC)cc1
SMART[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C(OC([H])([H])[H])C([H])=C(C([H])=C2[H])C([H])([H])[C@@]2([H])C(=O)OC([H])([H])[C@]2([H])C([H])([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CAS No.20362-31-6
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C077992
HIT   C0548
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Ambinter, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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