(+)-EPICATECHIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LD6B6TT8Q5

Structure
InChI Key PFTAWBLQPZVEMU-ZFWWWQNUSA-N
Smile Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2
InChI
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/t13-,15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14O6
Molecular Weight 290.27
AlogP 1.55
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 110.38
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 2500-12800 25100 - -
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- 23000-28000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 2 D006973 ClinicalTrials
Friedreich Ataxia 2 D005621 ClinicalTrials
Prediabetic State 1 D011236 ClinicalTrials
Muscular Dystrophy, Duchenne 1 D020388 ClinicalTrials
Muscular Dystrophy, Duchenne 1 D020388 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 76125
ChEMBL CHEMBL129482
FDA SRS LD6B6TT8Q5
KEGG C09728
SureChEMBL SCHEMBL862089
ZINC ZINC000000119978
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