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COCONUT Compound

(-)-Epicatechin

CNP0293352.2 · C15H14O6 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name(-)-Epicatechin
IUPAC Name(2~{R},3~{R})-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol
COCONUT IDCNP0293352.2
CAS490-46-0, 154-23-4, 7295-85-4
InChIKeyPFTAWBLQPZVEMU-UKRRQHHQSA-N
InChIInChI=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-/m1/s1
SMILESOC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C1

Properties

Molecular FormulaC15H14O6
Molecular Weight290.27
Exact Mass290.07904
Log P (ALogP)1.55
TPSA110.38
H-Bond Donors / Acceptors5 / 6
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.51
NP-likeness2.30

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavan-3-ols
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassFlavans

Reported in GR-MAPs Plants

Centella asiatica as “Centella asiatica” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla; Matricaria recutita” in COCONUT
Mentha piperita as “Mentha piperita piperita” in COCONUT
Daucus carota as “Daucus Carota” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Azadirachta indica as “Azadirachta indica” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Cinnamomum verum as “Cinnamomum zeylanicum” in COCONUT
Emblica officinalis as “Phyllanthus Emblica” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT
Saraca asoca as “Saraca asoca” in COCONUT

References (610)

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Showing 40 of 610. See all references on COCONUT.

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.