U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H14O2
Molecular Weight 166.217
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEPETALACTONE, (+)-(4AS,7S,7AR)-

SMILES

[H][C@]12CC[C@H](C)[C@@]1([H])C(=O)OC=C2C

InChI

InChIKey=ZDKZHVNKFOXMND-NBEYISGCSA-N
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

HIDE SMILES / InChI

Molecular Formula C10H14O2
Molecular Weight 166.217
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 22:08:38 UTC 2023
Edited
by admin
on Fri Dec 15 22:08:38 UTC 2023
Record UNII
7TM7PE24UW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEPETALACTONE, (+)-(4AS,7S,7AR)-
Common Name English
NEPETALACTONE CIS-TRANS-FORM
MI  
Common Name English
(+)-(4AS,7S,7AR)-NEPETALACTONE
Common Name English
(4AS,7S,7AR)-NEPETALACTONE
Common Name English
(+)-CIS,TRANS-NEPETALACTONE
Common Name English
Z,E-NEPETALACTONE
Common Name English
NEPETALACTONE
Common Name English
CYCLOPENTA(C)PYRAN-1(4AH)-ONE, 5,6,7,7A-TETRAHYDRO-4,7-DIMETHYL-, (4AS,7S,7AR)-
Common Name English
CIS-TRANS-NEPETALACTONE
Common Name English
NEPETALACTONE CIS-TRANS-FORM [MI]
Common Name English
Code System Code Type Description
FDA UNII
7TM7PE24UW
Created by admin on Fri Dec 15 22:08:38 UTC 2023 , Edited by admin on Fri Dec 15 22:08:38 UTC 2023
PRIMARY
MERCK INDEX
m7824
Created by admin on Fri Dec 15 22:08:38 UTC 2023 , Edited by admin on Fri Dec 15 22:08:38 UTC 2023
PRIMARY Merck Index
CAS
21651-62-7
Created by admin on Fri Dec 15 22:08:38 UTC 2023 , Edited by admin on Fri Dec 15 22:08:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID6075198
Created by admin on Fri Dec 15 22:08:38 UTC 2023 , Edited by admin on Fri Dec 15 22:08:38 UTC 2023
PRIMARY
PUBCHEM
161367
Created by admin on Fri Dec 15 22:08:38 UTC 2023 , Edited by admin on Fri Dec 15 22:08:38 UTC 2023
PRIMARY
CHEBI
7518
Created by admin on Fri Dec 15 22:08:38 UTC 2023 , Edited by admin on Fri Dec 15 22:08:38 UTC 2023
PRIMARY
WIKIPEDIA
Nepetalactone
Created by admin on Fri Dec 15 22:08:38 UTC 2023 , Edited by admin on Fri Dec 15 22:08:38 UTC 2023
PRIMARY
MESH
C115644
Created by admin on Fri Dec 15 22:08:38 UTC 2023 , Edited by admin on Fri Dec 15 22:08:38 UTC 2023
PRIMARY