FComEx: (+)-Pinoresinol (PC001143)

Record Information

Version

1.0

Creation date

2018-05-02 10:17:15 UTC

Update date

2018-05-04 14:28:46 UTC

FoodComEx ID

PC001143

FoodDB Record

FDB002760

Chemical Information

Name

(+)-Pinoresinol

Description

(+)-pinoresinol is a member of the class of compounds known as furanoid lignans. Furanoid lignans are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units (+)-pinoresinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-pinoresinol can be found in a number of food items such as chanterelle, pecan nut, pine nut, and common hazelnut, which makes (+)-pinoresinol a potential biomarker for the consumption of these food products.

CAS Number

487-36-5

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
Pinoresinol	biospider

Chemical Formula

C20H22O6

IUPAC name

4-[4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol

InChI Identifier

InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3

InChI Key

HGXBRUKMWQGOIE-UHFFFAOYSA-N

Isomeric SMILES

COC1=CC(=CC=C1O)C1OCC2C1COC2C1=CC=C(O)C(OC)=C1

Average Molecular Weight

358.3851

Monoisotopic Molecular Weight

358.141638436

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Furanoid lignans

Sub Class

Not Available

Direct Parent

Furanoid lignans

Alternative Parents