(Q27282686)

UNII-L488Q0FFC1 (English)

(4aR,7R,7aS)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one

14 October 2016

stereoisomer of

2 references

inferred from InChIKey

Nepetalactone, 4aa,7b, 7ab

2 references

inferred from InChIKey

(4aS,7R,7aR)-4,7-dimethyl-4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-one

1 reference

(+)-(4as,7S,7as)-nepetalactone

1 reference

(+)-(4as,7S,7ar)-nepetalactone

1 reference

chemical formula

C₁₀H₁₄O₂

1 reference

UNII-L488Q0FFC1 (English)

14 October 2016

canonical SMILES

CC1CCC2C1C(=O)OC=C2C

1 reference

UNII-L488Q0FFC1 (English)

14 October 2016

isomeric SMILES

C[C@H]1CC[C@@H]2[C@H]1C(=O)OC=C2C

1 reference

Nepetalactol oxidoreductase in trichomes of the catmint Nepeta racemosa

UNII-L488Q0FFC1 (English)

14 October 2016

2 references

Simplified isolation procedure and interconversion of the diastereomers of nepetalactone and nepetalactol

Identifiers

InChI

InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8-,9-/m0/s1

1 reference

UNII-L488Q0FFC1 (English)

ZDKZHVNKFOXMND-XVYDVKMFSA-N

14 October 2016

InChIKey

2 references

UNII-L488Q0FFC1 (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

21651-53-6

2 references

Global Substance Registration System

UNII

L488Q0FFC1

(+)-(4ar,7S,7as)-nepetalactone (English)

ZDKZHVNKFOXMND-XVYDVKMFSA-N

14 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=21651-53-6

1 reference

(4aR,7S,7aS)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one (English)

14 October 2016

1 reference

UNII-L488Q0FFC1 (English)

14 October 2016

ChEBI ID

144482

mapping relation type

exact match

1 reference

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

ChEBI release 2019-10-02

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

L488Q0FFC1

(+)-(4ar,7S,7as)-nepetalactone (English)