2-hydroxyestrone (Q27105413)

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chemical compound

(1S,10R,11S,15S)-4,5-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-one
Catecholestrone
2,3-Dihydroxyestra-1,3,5(10)-trien-17-one
2-OHE1
2-Hydroxyestrone

Language	Label	Description	Also known as
English	2-hydroxyestrone	chemical compound	(1S,10R,11S,15S)-4,5-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-one Catecholestrone 2,3-Dihydroxyestra-1,3,5(10)-trien-17-one 2-OHE1 2-Hydroxyestrone

Statements

type of chemical entity

0 references

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estrane steroid

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chemical structure

2-Hydroxyestrone.svg
1,120 × 780; 21 KB

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286.157 dalton

1 reference

language of work or name

2-HYDROXYESTRONE (English)

17 November 2016

chemical formula

C₁₈H₂₂O₃

1 reference

language of work or name

2-HYDROXYESTRONE (English)

17 November 2016

canonical SMILES

CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)O)O

1 reference

language of work or name

2-HYDROXYESTRONE (English)

17 November 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)O)O

1 reference

language of work or name

2-HYDROXYESTRONE (English)

17 November 2016

2 references

Recon 2.2: from reconstruction to model of human metabolism

A community-driven global reconstruction of human metabolism.

subject has role

anticarcinogens

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

Identifiers

InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1

1 reference

language of work or name

2-HYDROXYESTRONE (English)

17 November 2016

SWINWPBPEKHUOD-JPVZDGGYSA-N

2 references

language of work or name

2-HYDROXYESTRONE (English)

17 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

2-hydroxyestrone (English)

17 November 2016

SWINWPBPEKHUOD-JPVZDGGYSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=362-06-1

1 reference

language of work or name

2,3-Dihydroxyestra-1,3,5(10)-trien-17-one (English)

17 November 2016

2 references

language of work or name

2-HYDROXYESTRONE (English)

17 November 2016

matched by identifier from

SWINWPBPEKHUOD-JPVZDGGYSA-N

Reaxys registry number

2221833

1 reference

language of work or name

2-hydroxyestrone (English)

5 October 2016

mapping relation type

2 references

language of work or name

2-HYDROXYESTRONE (English)

17 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1

1 reference

language of work or name

2-HYDROXYESTRONE (English)

17 November 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

SWINWPBPEKHUOD-JPVZDGGYSA-N

UniChem compound ID

1 reference

splash10-0f92-1920000000-1852b9bae72a1d8a9dc8

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splash10-0zfs-2930000000-5911e48b958d80b00d92

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DSSTox substance ID

1 reference

matched by identifier from

SWINWPBPEKHUOD-JPVZDGGYSA-N

DSSTOX compound identifier

DTXCID701333471

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

(1S,10R,11S,15S)-4,5-dihydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-one (English)

CAS no.: 362-06-1 (English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

(1S,10R,11S,15S)-4,5-dihydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-one (English)

CAS no.: 362-06-1 (English)

MeSH descriptor ID

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

SWINWPBPEKHUOD-JPVZDGGYSA-N

2 references

Global Substance Registration System

language of work or name

2-hydroxyestrone (English)

17 November 2016

matched by identifier from

SWINWPBPEKHUOD-JPVZDGGYSA-N

Probes And Drugs ID

0 references

1 reference

language of work or name

2-hydroxyestrone (English)

5 October 2016

0 references

2 references

https://www.swisslipids.org/#/downloads

6 November 2021

matched by identifier from

SWINWPBPEKHUOD-JPVZDGGYSA-N

0 references

Sitelinks

Wikipedia(6 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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