enterodiol (Q5380230)

(-)-Enterodiol (English)

9 October 2016

chemical formula

C₁₈H₂₂O₄

1 reference

(-)-Enterodiol (English)

19 November 2016

canonical SMILES

C1=CC(=CC(=C1)O)CC(CO)C(CC2=CC(=CC=C2)O)CO

1 reference

(-)-Enterodiol (English)

19 November 2016

isomeric SMILES

C1=CC(=CC(=C1)O)C[C@@H](CO)[C@@H](CC2=CC(=CC=C2)O)CO

1 reference

(-)-Enterodiol (English)

19 November 2016

found in taxon

Enterococcus faecalis

1 reference

Biotransformation of Pinoresinol Diglucoside to Mammalian Lignans by Human Intestinal Microflora, and Isolation of Enterococcus faecalis Strain PDG-1 Responsible for the Transformation of (+)-Pinoresinol to (+)-Lariciresinol

Urtica dioica

1 reference

Lignans from the roots of Urtica dioica and their metabolites bind to human sex hormone binding globulin (SHBG).

Linum usitatissimum

1 reference

Lignans in homemade and commercial products containing flaxseed

sesame

1 reference

Estrogenic activities of sesame lignans and their metabolites on human breast cancer cells

Punica granatum

1 reference

Extract of Punica granatum inhibits skin photoaging induced by UVB irradiation

Identifiers

InChI

InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1

1 reference

(-)-Enterodiol (English)

19 November 2016

2 references

(-)-Enterodiol (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

80226-00-2

2 references

Global Substance Registration System

UNII

BZF4X2AWRP

enterodiol (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=80226-00-2

9 April 2021

1 reference

Enterodiol (English)

9 October 2016

2 references

(-)-Enterodiol (English)

19 November 2016

ChEBI ID

81556

mapping relation type

2 references

ENTERODIOL (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1

1 reference

ENTERODIOL (English)

19 November 2016

2 references

inferred from InChIKey

1 reference

MassBank accession ID

MSBNK-RIKEN-PR303935

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.162.704

27 December 2018

ECHA Substance Infocard ID

(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol (English)

quotation

CAS no.: 80226-00-2 (English)

100.162.704

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.162.704

27 December 2018

Human Metabolome Database ID

(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol (English)

quotation

CAS no.: 80226-00-2 (English)

HMDB0005056

2 references

based on heuristic

inferred from InChIKey

UNII

BZF4X2AWRP

2 references

Global Substance Registration System

UNII

BZF4X2AWRP

enterodiol (English)

19 November 2016

1 reference