General Characteristics
2D structure
NatID 577
Common Name nepetalactone
Molecular Formula C10H14O2
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 166.099 g/mol
Other names

 

Representations
Smiles CC1=COC(=O)[C@@H]2[C@@H](C)CC[C@H]12
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
Inchi Key ZDKZHVNKFOXMND-NBEYISGCSA-N
3D Structure

 

Calculated Properties
clogP 2.11
TPSA 26.30
HBD 0
HBA 2
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 12
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9890 Nepeta cataria No High

 

Bioassay ID NPASS ID Target Activity type Activity