NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundElenoside
NPACT-IdNPACT00520
IUPAC4-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one
Synonyms4-(1,3-Benzodioxol-5-yl)-6-hydroxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-5-yl hexopyranoside;4-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one
PubChem Id370651
ClassLignans
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyTXLXNBLWYBIYQL-UHFFFAOYSA-N
InChi1S/C25H22O11/c26-7-17-20(28)21(29)22(30)25(35-17)36-23-14(27)3-1-10-5-12-13(8-32-24(12)31)18(19(10)23)11-2-4-15-16(6-11)34-9-33-15/h1-6,17,20-22,25-30H,7-9H2
SMILESO1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc1c2c(c3c(cc2ccc1O)C(=O)OC3)c1cc2OCOc2cc1)CO
SMART[H]OC1=C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C2=C(C3=C(C([H])=C2C([H])=C1[H])C(=O)OC3([H])[H])C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H]
CAS No.131189-74-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C428195
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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