(Q7263468)

PYRETHRIN I (English)

[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate

5 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

2,2-Dimethyl-3alpha-(2-methyl-1-propenyl)cyclopropane-1beta-carboxylic acid (R)-1-methyl-2-(2,4-pentadienyl)-3-oxocyclopentene-5-yl ester

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₃

1 reference

PYRETHRIN I (English)

19 November 2016

canonical SMILES

CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C

1 reference

PYRETHRIN I (English)

19 November 2016

isomeric SMILES

CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C/C=C\C=C

1 reference

PYRETHRIN I (English)

19 November 2016

found in taxon

Chrysanthemum coccineum

1 reference

Possible Confusion of Pyrethrins with Thiophenes in Tagetes species.

Identifiers

InChI

InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1

1 reference

PYRETHRIN I (English)

19 November 2016

2 references

PYRETHRIN I (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

121-21-1

2 references

Global Substance Registration System

UNII

T018I9EQOL

pyrethrin i (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=121-21-1

9 April 2021

1 reference

CHRYSANTHEMUMMONOCARBOXYLIC ACID PYRETHROLONE ESTER (English)

19 November 2016

2 references

PYRETHRIN I (English)

19 November 2016

Reaxys registry number

2004306

1 reference

pyrethrin I (English)

5 October 2016

ChEBI ID

27815

mapping relation type

2 references

pyrethrin I (English)

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1

SureChEMBL ID

SCHEMBL26537

2 references

based on heuristic

inferred from InChIKey

Hazardous Substances Data Bank

1 reference

0 references

0 references

1 reference

28 October 2019

PYRETHRIN I (English)

10 May 2021

2 references

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

DSSTOX compound identifier

DTXCID2014499

0 references

EC number

204-455-8

1 reference

Global Substance Registration System

UNII

T018I9EQOL

pyrethrin i (English)

ECHA Substance Infocard ID

19 November 2016

100.004.051

1 reference

ECHA Substance Infocard database

2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl [1R-[1α[S*(Z)],3β]]-chrysanthemate (English)

ECHA Substance Infocard ID

5 May 2016

100.004.051

PesticideInfo chemical ID

0 references

1 reference

AICS Chemical ID (BEING DELETED)

0 references

1 reference

Global Substance Registration System

pyrethrin I (English)

5 October 2016

2 references

UNII

T018I9EQOL

pyrethrin i (English)

19 November 2016

0 references

1 reference