(Q27159765)

4-Hydroxyestrone (English)

9 October 2016

chemical formula

C₁₈H₂₂O₃

1 reference

4-Hydroxyestrone (English)

9 October 2016

canonical SMILES

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)O

1 reference

4-Hydroxyestrone (English)

9 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4O)O

1 reference

4-Hydroxyestrone (English)

InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

4-Hydroxyestrone (English)

9 October 2016

2 references

4-Hydroxyestrone (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

4-hydroxyestrone (English)

9 October 2016

https://commonchemistry.cas.org/detail?cas_rn=3131-23-5

9 April 2021

1 reference

3,4-Dihydroxyestra-1,3,5(10)-trien-17-one (English)

9 October 2016

1 reference

4-Hydroxyestrone (English)

9 October 2016

Reaxys registry number

2221832

1 reference

4-hydroxyestrone (English)

9 October 2016

ChEBI ID

87602

mapping relation type

2 references

4-hydroxyestrone (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1

1 reference

CHEMBL1743300 (English)

9 October 2016

2 references

inferred from InChIKey

DSSTOX compound identifier

1 reference

0 references

DTXCID701333469

0 references

Human Metabolome Database ID

0 references

2 references

Global Substance Registration System

UNII

3MN57C55S2

4-HYDROXYESTRONE (English)

9 October 2016

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

0 references

0 references

2 references

6 November 2021

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

850770

1 reference

stated in

IEDB Epitope ID

850770