NP-MRD: Showing NP-Card for 2-Ethylhexyl trans-4-methoxycinnamate (NP0138974)

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Record Information

Version

1.0

Created at

2022-06-29 19:34:03 UTC

Updated at

2022-06-29 19:34:03 UTC

NP-MRD ID

NP0138974

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-Ethylhexyl trans-4-methoxycinnamate

Description

Octyl 4-methoxycinnamic acid, also known as parsol or 2-ethylhexyl-4-methoxycinnamate, belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid. Octyl 4-methoxycinnamic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Its use in pharmaceutical and cosmetic formulations is approved by FDA. Acts as a photoprotective agent that protects the skin by preventing and minimizing the damaging effects of ultraviolet (UV) rays of natural light. It was originally developed in 1950's as an organic UV-B filter that absorbs UV-B rays from sun. Like any other photoprotective agents, octinoxate prevents the damage to cells and deoxyribonucleic acid (DNA) by reducing the p53 protein expression following UV exposure and also increases the skin's tolerability to UV rays. UV-induced molecular breakdown of octinoxate may interfere with cellular processes or induce oxidative damage in human skin. Can be enzymatically degraded by lipases in the stratum corneum where esters undergo hydrolysis. Octinoxate is a cinnamate ester and common ingredient in sunscreen and other skin care products to minimize DNA photodamage. It was first documented in 2006 (PMID: 16614896). Absorbs UV-B (predominantly) and UV-A rays while accumulating in the outermost layer of the epidermis.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 47  0  0  0  0  0  0  0  0999 V2000
   -5.9002    0.7671   -1.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6065    0.9469   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4207   -0.4024    0.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2941   -1.1644   -0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9525   -0.4547    0.0303 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6113   -0.2689    1.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2845    0.3529    1.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9454   -1.3487   -0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6340   -0.9022   -0.6392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1677    0.2418   -1.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9742    0.9791   -1.8276 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2676    0.5622   -1.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0988   -0.2376   -0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5274   -0.0094   -0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1402    1.0795   -0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5038    1.2547   -0.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2798    0.3338   -0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6396    0.5534    0.1347 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3921   -0.4069    0.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6284   -0.7608    0.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2676   -0.9366    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9685    0.7704   -2.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5253    1.6211   -1.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5021   -0.1581   -1.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7073    1.5458    0.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5030    1.4569    0.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3486   -0.9831    0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3406   -0.3239    1.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2141   -2.1702    0.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5079   -1.2746   -1.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9928    0.5555   -0.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6908   -1.2136    2.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3822    0.4252    1.9309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2098    0.6338    2.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1284    1.3180    1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4112   -0.3075    1.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9492   -2.3009   -0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2950   -1.6959   -1.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6686    1.4592   -1.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241   -1.1327   -0.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    1.8543   -1.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9735    2.1282   -1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4612   -0.1655    0.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1919   -0.3028    1.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1646   -1.4168    0.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1997   -1.4934    1.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8146   -1.8316    0.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  2  0
 12 10  1  0
 10 11  2  0
 10  9  1  0
  9  8  1  0
  8  5  1  0
  5  6  1  0
  6  7  1  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  1  0
 21 14  1  0
 12 39  1  0
 13 40  1  0
 15 41  1  0
 16 42  1  0
 19 43  1  0
 19 44  1  0
 19 45  1  0
 20 46  1  0
 21 47  1  0
  8 37  1  0
  8 38  1  0
  5 31  1  6
  6 32  1  0
  6 33  1  0
  7 34  1  0
  7 35  1  0
  7 36  1  0
  4 29  1  0
  4 30  1  0
  3 27  1  0
  3 28  1  0
  2 25  1  0
  2 26  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
M  END


  Mrv0541 10081412332D          

 23 23  0  0  0  0            999 V2000
   -4.2868    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  2  0  0  0  0
 15  5  1  0  0  0  0
 15  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  2  0  0  0  0
 16  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 20  3  1  0  0  0  0
 20 17  1  0  0  0  0
 21 14  1  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
 23 13  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0138974

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]\C(=C(\[H])C1=CC=C(OC)C=C1)C(=O)OCC(CC)CCCC

> <INCHI_IDENTIFIER>
InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+

> <INCHI_KEY>
YBGZDTIWKVFICR-JLHYYAGUSA-N

> <FORMULA>
C18H26O3

> <MOLECULAR_WEIGHT>
290.3972

> <EXACT_MASS>
290.188194698

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
34.83771507939504

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-ethylhexyl (2E)-3-(4-methoxyphenyl)prop-2-enoate

> <ALOGPS_LOGP>
5.62

> <JCHEM_LOGP>
5.380220219666667

> <ALOGPS_LOGS>
-5.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.819479599848811

> <JCHEM_POLAR_SURFACE_AREA>
35.53

> <JCHEM_REFRACTIVITY>
86.4404

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.52e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
parsol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 08-OCT-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-OCT-14         0                                  
HETATM    1  C   UNK     0      -8.002  12.320   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  14.630   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  16.170   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.668  11.550   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667  13.860   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.335  12.320   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.001  11.550   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668  11.550   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335  13.860   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  11.550   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002  12.320   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668  14.630   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  12.320   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334  11.550   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.667  12.320   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335  12.320   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002  13.860   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.334  10.010   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       9.336  14.630   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       0.000  12.320   0.000  0.00  0.00           O+0
HETATM   22  H   UNK     0       4.001  10.010   0.000  0.00  0.00           H+0
HETATM   23  H   UNK     0       2.667  13.860   0.000  0.00  0.00           H+0
CONECT    1    4                                                            
CONECT    2    5                                                            
CONECT    3   20                                                            
CONECT    4    1    6                                                       
CONECT    5    2   15                                                       
CONECT    6    4    7                                                       
CONECT    7    6   15                                                       
CONECT    8   11   16                                                       
CONECT    9   12   16                                                       
CONECT   10   13   16   22                                                  
CONECT   11    8   17                                                       
CONECT   12    9   17                                                       
CONECT   13   10   18   23                                                  
CONECT   14   15   21                                                       
CONECT   15    5    7   14                                                  
CONECT   16    8    9   10                                                  
CONECT   17   11   12   20                                                  
CONECT   18   13   19   21                                                  
CONECT   19   18                                                            
CONECT   20    3   17                                                       
CONECT   21   14   18                                                       
CONECT   22   10                                                            
CONECT   23   13                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Value	Source
Octyl methoxycinnamate	Kegg
Parsol	Kegg
Octyl methoxycinnamic acid	Generator
Octyl 4-methoxycinnamate	Generator
OCTINOXic acid	HMDB
Heliopan new	HMDB
OMC cinnamate	HMDB
Parsol MCX	HMDB
Octylmethoxycinnamate	HMDB
2-Ethylhexyl-4-methoxycinnamate	HMDB
2-Ethylhexyl-p-methoxycinnamate	HMDB
Escalol 557	HMDB
Octyl-methoxycinnamate	HMDB

Chemical Formula

C₁₈H₂₆O₃

Average Mass

290.3972 Da

Monoisotopic Mass

290.18819 Da

IUPAC Name

2-ethylhexyl (2E)-3-(4-methoxyphenyl)prop-2-enoate

Traditional Name

parsol

CAS Registry Number

Not Available

SMILES

[H]\C(=C(\[H])C1=CC=C(OC)C=C1)C(=O)OCC(CC)CCCC

InChI Identifier

InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+

InChI Key

YBGZDTIWKVFICR-JLHYYAGUSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Cinnamic acid esters

Direct Parent

Cinnamic acid esters

Alternative Parents

Substituents

Cinnamic acid ester
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Styrene
Alkyl aryl ether
Fatty acid ester
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Monocarboxylic acid or derivatives
Ether
Carboxylic acid derivative
Organic oxide
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

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	5.62	ALOGPS
logP	5.38	ChemAxon
logS	-5.8	ALOGPS
pKa (Strongest Basic)	-4.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	35.53 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	86.44 m³·mol⁻¹	ChemAxon
Polarizability	34.84 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0061861

DrugBank ID

DB09496

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5355130

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Lee GS, Widjaja A, Ju YH: Enzymatic synthesis of cinnamic acid derivatives. Biotechnol Lett. 2006 Apr;28(8):581-5. doi: 10.1007/s10529-006-0019-2. [PubMed:16614896 ]

Showing NP-Card for 2-Ethylhexyl trans-4-methoxycinnamate (NP0138974)

MOL for NP0138974 (2-Ethylhexyl trans-4-methoxycinnamate)

3D MOL for NP0138974 (2-Ethylhexyl trans-4-methoxycinnamate)

3D SDF for NP0138974 (2-Ethylhexyl trans-4-methoxycinnamate)

3D-SDF for NP0138974 (2-Ethylhexyl trans-4-methoxycinnamate)

PDB for NP0138974 (2-Ethylhexyl trans-4-methoxycinnamate)

3D PDB for NP0138974 (2-Ethylhexyl trans-4-methoxycinnamate)

SMILES for NP0138974 (2-Ethylhexyl trans-4-methoxycinnamate)

INCHI for NP0138974 (2-Ethylhexyl trans-4-methoxycinnamate)

Structure for NP0138974 (2-Ethylhexyl trans-4-methoxycinnamate)

3D Structure for NP0138974 (2-Ethylhexyl trans-4-methoxycinnamate)