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, (+)-(4AR,7S,7AS)-

SMILES

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

InChI

InChIKey=ZDKZHVNKFOXMND-XVYDVKMFSA-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

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 22:08:38 GMT 2023
Edited
by admin
on Fri Dec 15 22:08:38 GMT 2023
Record UNII
L488Q0FFC1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEPETALACTONE, (+)-(4AR,7S,7AS)-
Common Name English
CYCLOPENTA(C)PYRAN-1(4AH)-ONE, 5,6,7,7A-TETRAHYDRO-4,7-DIMETHYL-, (4AR,7S,7AS)-
Common Name English
CIS,CIS-NEPETALACTONE
Common Name English
Z,Z-NEPETALACTONE
Common Name English
(+)-CIS,CIS-NEPETALACTONE
Common Name English
(4AR,7S,7AS)-NEPETALACTONE
Common Name English
Code System Code Type Description
PUBCHEM
6431022
Created by admin on Fri Dec 15 22:08:38 GMT 2023 , Edited by admin on Fri Dec 15 22:08:38 GMT 2023
PRIMARY
CAS
21651-53-6
Created by admin on Fri Dec 15 22:08:38 GMT 2023 , Edited by admin on Fri Dec 15 22:08:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID1075197
Created by admin on Fri Dec 15 22:08:38 GMT 2023 , Edited by admin on Fri Dec 15 22:08:38 GMT 2023
PRIMARY
FDA UNII
L488Q0FFC1
Created by admin on Fri Dec 15 22:08:38 GMT 2023 , Edited by admin on Fri Dec 15 22:08:38 GMT 2023
PRIMARY
CHEBI
144482
Created by admin on Fri Dec 15 22:08:38 GMT 2023 , Edited by admin on Fri Dec 15 22:08:38 GMT 2023
PRIMARY