NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundL-epicatechin
NPACT-IdNPACT00707
IUPAC2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
SynonymsDL-Catechin;L-Epicatechin;(+/-)-Epicatechin;(+/-)-Catechin;Epicatechol, (-)-
PubChem Id1203
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsMAPK1 | PRKCA |   All | 
Properties Physical   Elemental  Topological
InChi KeyPFTAWBLQPZVEMU-UHFFFAOYSA-N
InChi1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2
SMILESO1[C@H]([C@@H](O)Cc2c1cc(O)cc2O)c1cc(O)c(O)cc1
SMART[H]OC1=C([H])C(O[H])=C2C(O[C@@]([H])(C3=C([H])C(O[H])=C(O[H])C([H])=C3[H])[C@@]([H])(O[H])C2([H])[H])=C1[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   C0136
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   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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