NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundLeucosceptoside A
NPACT-IdNPACT00708
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-hydroxy-4-methoxyphenyl)prop-2-enoate
Synonyms4-methoxyphenyl)prop-2-enoate
PubChem Id6476334
ClassUnknown
In-vitro anticancer activtiy 5 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRMJYDWRKVAGFGZ-CPPDSBOHSA-N
InChi1S/C30H38O15/c1-14-23(36)24(37)25(38)30(42-14)45-28-26(39)29(41-10-9-16-3-6-17(32)18(33)11-16)43-21(13-31)27(28)44-22(35)8-5-15-4-7-20(40-2)19(34)12-15/h3-8,11-12,14,21,23-34,36-39H,9-10,13H2,1-2H3/b8-5+/t14-,21+,23-,24+,25+,26+,27+,28+,29+,30-/m0/s1
SMILESO([C@H]1[C@H](OC(=O)/C=C/c2cc(O)c(OC)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])=C1[H])C([H])([H])C([H])([H])O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(OC(=O)C([H])=C(/[H])C2=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])O[H])[C@@]1([H])O[H]
CAS No.83529-62-8
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   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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