NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundActeoside
NPACT-IdNPACT00212
IUPAC[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl](E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SynonymsActeoside;Verbascoside;Kusaginin;Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate),(E)-beta-D-
PubChem Id5281800
ClassUnknown
In-vitro anticancer activtiy 6 cancer cell lines
In-Vivo anticancer activtiy No
TargetsCDK2 | CDK4 | CDKN1A | CDKN1B |   All | 
Properties Physical   Elemental  Topological
InChi KeyFBSKJMQYURKNSU-ZLSOWSIRSA-N
InChi1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
SMILESO([C@H]1[C@H](OC(=O)/C=C/c2cc(O)c(O)cc2)[C@H](O[C@@H](OCCc2cc(O)c(O)cc2)[C@@H]1O)CO)[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C
SMART[H]OC1=C(O[H])C([H])=C(C([H])=C(/[H])C(=O)O[C@@]2([H])[C@]([H])(O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])C([H])([H])C3=C([H])C(O[H])=C(O[H])C([H])=C3[H])O[C@]2([H])C([H])([H])O[H])C([H])=C1[H]
CAS No.61276-17-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C058956
HIT   C0319
NCI-60 GI50 data   61276-17-3
Suppliers ABI Chem, Ambinter, IS Chemical Technology, R&D Chemicals, 
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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