NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound5,7,3'-tri-O-methyl(-)-epicatechin
NPACT-IdNPACT00169
IUPAC(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
SynonymsEpicatechin 5,7,3'-trimethyl ether
PubChem Id6482487
ClassFlavonoid
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsPLCG1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyIJCWCJRLHJAVFD-RDTXWAMCSA-N
InChi1S/C18H20O6/c1-21-11-7-15(22-2)12-9-14(20)18(24-16(12)8-11)10-4-5-13(19)17(6-10)23-3/h4-8,14,18-20H,9H2,1-3H3/t14-,18-/m1/s1
SMILESO1[C@@H]([C@H](O)Cc2c1cc(OC)cc2OC)c1cc(OC)c(O)cc1
SMART[#6]OC1=CC(O[#6])=C2C[C@@H](O)[C@H](OC2=C1)C1=CC(O[#6])=C(O)C=C1
CAS No.-
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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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