NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBeta-sitosterol-3-O-beta-D-glucoside
NPACT-IdNPACT00330
IUPAC(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms-
PubChem Id3035567
ClassSteroids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFVQOMEDMFUMIMO-FHVPTPGYSA-N
InChi1S/C21H22O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-27,29-30H,6H2/t13-,15-,17+,18-,19+,20-,21+/m1/s1
SMILESO1[C@@H](O[C@H]2[C@@H](Oc3c(C2=O)c(O)cc(O)c3)c2cc(O)c(O)cc2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
SMART[H]OC1=C([H])C(O[H])=C2C(O[C@@]([H])(C3=C([H])C(O[H])=C(O[H])C([H])=C3[H])[C@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C2=O)=C1[H]
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   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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