NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound5,7-dimethyl-3',4'-methylene(-)-epicatechin
NPACT-IdNPACT00171
IUPAC(2R,3R)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
Synonyms3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether
PubChem Id10336729
ClassFlavonoid
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsPLCG1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyMMKQEVQTCAAXTI-FZKQIMNGSA-N
InChi1S/C18H18O6/c1-20-11-6-15(21-2)12-8-13(19)18(24-16(12)7-11)10-3-4-14-17(5-10)23-9-22-14/h3-7,13,18-19H,8-9H2,1-2H3/t13-,18-/m1/s1
SMILESO1[C@@H]([C@H](O)Cc2c1cc(OC)cc2OC)c1cc2OCOc2cc1
SMART[#6]OC1=CC(O[#6])=C2C[C@@H](O)[C@H](OC2=C1)C1=CC2=C(OCO2)C=C1
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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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