NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundEthyl gallate
NPACT-IdNPACT00567
IUPACethyl 3,4,5-trihydroxybenzoate
SynonymsPhyllemblin; Gallic acid ethyl ester; Nipagallin A; Progallin A; Ethyl 3,4,5-trihydroxybenzoate; 3,4,5-Trihydroxybenzoic acid ethyl ester; Ethyl 3,5-trihydroxybenzoate; Ethyl-3,5-trihydroxybenzoate; ethyl 3,4,5-tris(oxidanyl)benzoate; 3,5-Trihydroxybenzoic acid ethyl ester
PubChem Id13250
ClassTannin
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyVFPFQHQNJCMNBZ-UHFFFAOYSA-N
InChi1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3
SMILESO(C(=O)c1cc(O)c(O)c(O)c1)CC
SMART[H]OC1=C([H])C(=C([H])C(O[H])=C1O[H])C(=O)OC([H])([H])C([H])([H])[H]
CAS No.831-61-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C048734
HIT   -
NCI-60 GI50 data   -
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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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