NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundFerulic acid
NPACT-IdNPACT00580
IUPAC(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Synonymsferulate
PubChem Id445858
ClassLignans
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity Yes
TargetsGSTM1 | NQO1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyKSEBMYQBYZTDHS-HWKANZROSA-N
InChi1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
SMILESO(c1cc(ccc1O)/C=C/C(=O)O)C
SMART[H]OC(=O)C([H])=C(/[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H]
CAS No.1135-24-6
Structure
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Cross Refrence in other databases
Super Natural   001135246
CTD   C004999
HIT   -
NCI-60 GI50 data   1135-24-6
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Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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