Compound | L-epicatechin |
NPACT-Id | NPACT00707 |
IUPAC | 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
Synonyms | DL-Catechin;L-Epicatechin;(+/-)-Epicatechin;(+/-)-Catechin;Epicatechol, (-)- |
PubChem Id | 1203 |
Class | Flavonoid |
In-vitro anticancer activity | 2 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | MAPK1 | PRKCA | All | |
Properties | Physical Elemental Topological |
InChi Key | PFTAWBLQPZVEMU-UHFFFAOYSA-N |
InChi | 1S/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 |
SMILES | O1[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. | - |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | - |
HIT | C0136 |
NCI-60 GI50 data | - |
Suppliers | AAA Chemistry, ABI Chem, Ambinter, ChemExper Chemical Directory, ChemFrog, ChemMol, Jamson Pharmachem Technology, MolPort, MP
Biomedicals, R&D Chemicals, TCI (Tokyo Chemical Industry), |
Drug-Likeliness Filters | Lipinski's rule of five | Yes |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |