NP-MRD: Showing NP-Card for trans-cis nepetalactone (NP0028196)

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Record Information

Version

2.0

Created at

2021-06-19 20:09:17 UTC

Updated at

2021-06-29 23:54:49 UTC

NP-MRD ID

NP0028196

Secondary Accession Numbers

None

Natural Product Identification

Common Name

trans-cis nepetalactone

Provided By

JEOL Database JEOL Logo

Description

Nepetalactone trans-cis-form is also known as 4aalpha,7a,7abeta-nepetalactone or (4as,7S,7as)-nepetalactone. Nepetalactone trans-cis-form is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. trans-cis nepetalactone is found in Nepeta nepetella, Nepeta racemosa and Nepeta tuberosa. trans-cis nepetalactone was first documented in 2009 (PMID: 19469289). Based on a literature review a small amount of articles have been published on Nepetalactone trans-cis-form (PMID: 21056438) (PMID: 22382713).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306192122093D          

 26 27  0  0  0  0            999 V2000
    2.3867    1.1007    2.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9978    0.5989    2.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5955    0.0794    4.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7277   -0.3146    4.4024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6482   -0.4337    3.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8289   -0.6720    3.6131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0474   -0.3885    2.0020 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9398   -0.1790    0.7730 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0524    0.8581    0.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9299    0.2725   -0.3104 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3781    0.6161    0.4205 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0333    0.7446    1.8840 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3651    2.1534    2.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8766    0.5222    1.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0050    1.0236    3.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101   -0.0467    5.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449   -1.3618    1.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4056   -1.1272    0.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6705    1.8257    1.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8089    0.5221    1.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5645    1.0193   -0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2947    1.1363   -0.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7497   -0.5339   -1.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8266    1.5369    0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1050   -0.1933    0.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5129    1.7231    2.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
 12  7  1  0  0  0  0
  2  1  1  0  0  0  0
  8  9  1  0  0  0  0
  7  5  1  0  0  0  0
  7 17  1  6  0  0  0
 12  2  1  0  0  0  0
 12 26  1  6  0  0  0
  3 16  1  0  0  0  0
  8 18  1  6  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END


  Mrv1652306192122093D          

 26 27  0  0  0  0            999 V2000
    2.3867    1.1007    2.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9978    0.5989    2.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5955    0.0794    4.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7277   -0.3146    4.4024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6482   -0.4337    3.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8289   -0.6720    3.6131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0474   -0.3885    2.0020 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9398   -0.1790    0.7730 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0524    0.8581    0.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9299    0.2725   -0.3104 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3781    0.6161    0.4205 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0333    0.7446    1.8840 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3651    2.1534    2.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8766    0.5222    1.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0050    1.0236    3.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101   -0.0467    5.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449   -1.3618    1.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4056   -1.1272    0.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6705    1.8257    1.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8089    0.5221    1.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5645    1.0193   -0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2947    1.1363   -0.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7497   -0.5339   -1.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8266    1.5369    0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1050   -0.1933    0.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5129    1.7231    2.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
 12  7  1  0  0  0  0
  2  1  1  0  0  0  0
  8  9  1  0  0  0  0
  7  5  1  0  0  0  0
  7 17  1  6  0  0  0
 12  2  1  0  0  0  0
 12 26  1  6  0  0  0
  3 16  1  0  0  0  0
  8 18  1  6  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0028196

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C1=C(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@]2([H])C(=O)O1

> <INCHI_IDENTIFIER>
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-ZQARSLAVSA-N

> <FORMULA>
C10H14O2

> <MOLECULAR_WEIGHT>
166.22

> <EXACT_MASS>
166.099379691

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
18.168785169576466

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(4aS,7S,7aS)-4,7-dimethyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-one

> <ALOGPS_LOGP>
2.25

> <JCHEM_LOGP>
1.947327520666667

> <ALOGPS_LOGS>
-1.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.205270434744483

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
45.7547

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.96e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nepetalactone trans-cis-form

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 19-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUN-21         0                                  
HETATM    1  C   UNK     0       2.387   1.101   2.721  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.998   0.599   2.957  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.596   0.079   4.126  0.00  0.00           C+0
HETATM    4  O   UNK     0      -0.728  -0.315   4.402  0.00  0.00           O+0
HETATM    5  C   UNK     0      -1.648  -0.434   3.386  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.829  -0.672   3.613  0.00  0.00           O+0
HETATM    7  C   UNK     0      -1.047  -0.389   2.002  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.940  -0.179   0.773  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.052   0.858   0.936  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.930   0.273  -0.310  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.378   0.616   0.421  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.033   0.745   1.884  0.00  0.00           C+0
HETATM   13  H   UNK     0       2.365   2.153   2.422  0.00  0.00           H+0
HETATM   14  H   UNK     0       2.877   0.522   1.932  0.00  0.00           H+0
HETATM   15  H   UNK     0       3.005   1.024   3.622  0.00  0.00           H+0
HETATM   16  H   UNK     0       1.210  -0.047   5.008  0.00  0.00           H+0
HETATM   17  H   UNK     0      -0.545  -1.362   1.875  0.00  0.00           H+0
HETATM   18  H   UNK     0      -2.406  -1.127   0.479  0.00  0.00           H+0
HETATM   19  H   UNK     0      -2.671   1.826   1.275  0.00  0.00           H+0
HETATM   20  H   UNK     0      -3.809   0.522   1.651  0.00  0.00           H+0
HETATM   21  H   UNK     0      -3.564   1.019  -0.019  0.00  0.00           H+0
HETATM   22  H   UNK     0      -1.295   1.136  -0.877  0.00  0.00           H+0
HETATM   23  H   UNK     0      -0.750  -0.534  -1.030  0.00  0.00           H+0
HETATM   24  H   UNK     0       0.827   1.537   0.034  0.00  0.00           H+0
HETATM   25  H   UNK     0       1.105  -0.193   0.279  0.00  0.00           H+0
HETATM   26  H   UNK     0      -0.513   1.723   2.028  0.00  0.00           H+0
CONECT    1    2   13   14   15                                             
CONECT    2    3    1   12                                                  
CONECT    3    2    4   16                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    8   12    5   17                                             
CONECT    8    7   10    9   18                                             
CONECT    9    8   19   20   21                                             
CONECT   10    8   11   22   23                                             
CONECT   11   10   12   24   25                                             
CONECT   12   11    7    2   26                                             
CONECT   13    1                                                            
CONECT   14    1                                                            
CONECT   15    1                                                            
CONECT   16    3                                                            
CONECT   17    7                                                            
CONECT   18    8                                                            
CONECT   19    9                                                            
CONECT   20    9                                                            
CONECT   21    9                                                            
CONECT   22   10                                                            
CONECT   23   10                                                            
CONECT   24   11                                                            
CONECT   25   11                                                            
CONECT   26   12                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   54    0
END

View in JSmol

Synonyms

Value	Source
(+)-(4AS,7S,7as)-nepetalactone	ChEBI
(+)-trans,cis-Nepetalactone	ChEBI
(4Aalpha,7alpha,7abeta)-5,6,7,7a-tetrahydro-4,7-dimethylcyclopenta[c]pyran-1(4ah)-one	ChEBI
(4AS,7S,7as)-nepetalactone	ChEBI
4Aalpha,7alpha,7abeta-nepetalactone	ChEBI
e,Z-Nepetalactone	ChEBI
Epinepetalactone	ChEBI
Isonepetalactone	ChEBI
trans,cis-Nepetalactone	ChEBI
(4Aalpha,7a,7abeta)-5,6,7,7a-tetrahydro-4,7-dimethylcyclopenta[c]pyran-1(4ah)-one	Generator
(4Aalpha,7α,7abeta)-5,6,7,7a-tetrahydro-4,7-dimethylcyclopenta[c]pyran-1(4ah)-one	Generator
4Aalpha,7a,7abeta-nepetalactone	Generator
4Aalpha,7α,7abeta-nepetalactone	Generator
Nepetalactone trans-cis-form	ChEBI

Chemical Formula

C₁₀H₁₄O₂

Average Mass

166.2200 Da

Monoisotopic Mass

166.09938 Da

IUPAC Name

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

Traditional Name

nepetalactone trans-cis-form

CAS Registry Number

Not Available

SMILES

[H]C1=C(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@]2([H])C(=O)O1

InChI Identifier

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-ZQARSLAVSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Nepeta cataria	KNApSAcK Database	22123792
Nepeta nepetella	LOTUS Database	35616633
Nepeta racemosa	JEOL database	Liblikas, I., et al, J. Nat. Prod. 68, 886 (2005)
Nepeta tuberosa	LOTUS Database	35616633

Species Where Detected

Species Name	Source	Reference
Megoura viciae	KNApSAcK Database	22123792

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.25	ALOGPS
logP	1.95	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Basic)	-7.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	26.3 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	45.75 m³·mol⁻¹	ChemAxon
Polarizability	18.17 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00003092

Chemspider ID

390870

KEGG Compound ID

C09792

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

7519

Good Scents ID

Not Available

References

General References

Adiguzel A, Ozer H, Sokmen M, Gulluce M, Sokmen A, Kilic H, Sahin F, Baris O: Antimicrobial and antioxidant activity of the essential oil and methanol extract of Nepeta cataria. Pol J Microbiol. 2009;58(1):69-76. [PubMed:19469289 ]
Birkett MA, Hassanali A, Hoglund S, Pettersson J, Pickett JA: Repellent activity of catmint, Nepeta cataria, and iridoid nepetalactone isomers against Afro-tropical mosquitoes, ixodid ticks and red poultry mites. Phytochemistry. 2011 Jan;72(1):109-14. doi: 10.1016/j.phytochem.2010.09.016. Epub 2010 Nov 4. [PubMed:21056438 ]
Khan MA, Jones I, Loza-Reyes E, Cameron MM, Pickett JA, Birkett MA: Interference in foraging behaviour of European and American house dust mites Dermatophagoides pteronyssinus and Dermatophagoides farinae (Acari: Pyroglyphidae) by catmint, Nepeta cataria (Lamiaceae). Exp Appl Acarol. 2012 May;57(1):65-74. doi: 10.1007/s10493-012-9532-2. Epub 2012 Mar 2. [PubMed:22382713 ]
Liblikas, I., et al. (2005). Liblikas, I., et al, J. Nat. Prod. 68, 886 (2005). J. Nat. Prod..

Showing NP-Card for trans-cis nepetalactone (NP0028196)

MOL for NP0028196 (trans-cis nepetalactone)

3D MOL for NP0028196 (trans-cis nepetalactone)

3D SDF for NP0028196 (trans-cis nepetalactone)

3D-SDF for NP0028196 (trans-cis nepetalactone)

PDB for NP0028196 (trans-cis nepetalactone)

3D PDB for NP0028196 (trans-cis nepetalactone)

SMILES for NP0028196 (trans-cis nepetalactone)

INCHI for NP0028196 (trans-cis nepetalactone)

Structure for NP0028196 (trans-cis nepetalactone)

3D Structure for NP0028196 (trans-cis nepetalactone)