NP-MRD: Showing NP-Card for methyl (2z)-3-(4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate (NP0286626)

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Record Information

Version

2.0

Created at

2022-09-09 15:16:40 UTC

Updated at

2022-09-09 15:16:40 UTC

NP-MRD ID

NP0286626

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl (2z)-3-(4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate

Description

Methyl (2Z)-3-(4-{[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid. Based on a literature review very few articles have been published on methyl (2Z)-3-(4-{[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 50 50  0  0  0  0  0  0  0  0999 V2000
    6.4218    2.3858   -1.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417    1.0456   -0.6873 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3974    0.2537   -0.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5324    0.8702   -0.5401 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5138   -1.0831    0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5495   -1.8784    0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1578   -1.6429    0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4513   -0.5008    0.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0721   -0.3977    0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3254   -1.4585   -0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9556   -1.3852   -0.3105 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1950   -0.2392   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2265   -0.5935   -0.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2019   -0.5110    0.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8674   -0.0575    1.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6078   -0.8677    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4537    0.3672    0.3174 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9926    1.4069   -0.4812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8644    0.0417   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7384    1.0138   -0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1519    0.6771   -0.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3076    2.4282    0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0201   -2.6241   -0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3632   -2.7351   -0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0308    2.4726   -2.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9139    3.0880   -0.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875    2.7411   -1.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5865   -1.4990    0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8516   -2.9241    0.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9833    0.3415    0.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6012    0.5511    0.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2777    0.0286    0.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5788    0.5707   -0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5028   -0.9251   -1.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3985    0.9612    1.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050   -0.7324    2.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7774   -0.0074    2.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6319   -1.1485   -0.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9689   -1.7217    0.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4056    0.7206    1.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5220    1.0728   -1.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1837   -0.9985   -0.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6113    1.5253   -1.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6676    0.4016    0.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1236   -0.2368   -1.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8325    2.8010   -0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1696    3.0655    0.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5628    2.5058    0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -3.4786   -0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501   -3.6903   -0.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 20 22  1  0
 10 23  1  0
 23 24  2  0
 24  7  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  5 28  1  0
  6 29  1  0
  8 30  1  0
  9 31  1  0
 12 32  1  0
 12 33  1  0
 13 34  1  0
 15 35  1  0
 15 36  1  0
 15 37  1  0
 16 38  1  0
 16 39  1  0
 17 40  1  1
 18 41  1  0
 19 42  1  0
 21 43  1  0
 21 44  1  0
 21 45  1  0
 22 46  1  0
 22 47  1  0
 22 48  1  0
 23 49  1  0
 24 50  1  0
M  END


  Mrv1652309092217162D          

 24 24  0  0  1  0            999 V2000
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    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
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 10 23  1  0  0  0  0
 23 24  2  0  0  0  0
  7 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0286626

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)\C=C/C1=CC=C(OC\C=C(/C)C[C@@H](O)C=C(C)C)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H26O4/c1-15(2)13-18(21)14-16(3)11-12-24-19-8-5-17(6-9-19)7-10-20(22)23-4/h5-11,13,18,21H,12,14H2,1-4H3/b10-7-,16-11+/t18-/m0/s1

> <INCHI_KEY>
LTLZWHMFKURVPA-KUVZFAPJSA-N

> <FORMULA>
C20H26O4

> <MOLECULAR_WEIGHT>
330.424

> <EXACT_MASS>
330.183109317

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
37.93011969202442

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl (2Z)-3-(4-{[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate

> <JCHEM_LOGP>
4.147791681333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.238762437133378

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3820188452683349

> <JCHEM_POLAR_SURFACE_AREA>
55.760000000000005

> <JCHEM_REFRACTIVITY>
98.72850000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl (2Z)-3-(4-{[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.667   4.620   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   24                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   23                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   10   24                                                       
CONECT   24   23    7                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END

View in JSmol

Synonyms

Value	Source
Methyl (2Z)-3-(4-{[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoic acid	Generator

Chemical Formula

C₂₀H₂₆O₄

Average Mass

330.4240 Da

Monoisotopic Mass

330.18311 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC(=O)\C=C/C1=CC=C(OC\C=C(/C)C[C@@H](O)C=C(C)C)C=C1

InChI Identifier

InChI=1S/C20H26O4/c1-15(2)13-18(21)14-16(3)11-12-24-19-8-5-17(6-9-19)7-10-20(22)23-4/h5-11,13,18,21H,12,14H2,1-4H3/b10-7-,16-11+/t18-/m0/s1

InChI Key

LTLZWHMFKURVPA-KUVZFAPJSA-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
Monocyclic monoterpenoid
Monoterpenoid
Aromatic monoterpenoid
Phenoxy compound
Phenol ether
Styrene
Alkyl aryl ether
Fatty acid ester
Monocyclic benzene moiety
Benzenoid
Fatty acyl
Enoate ester
Methyl ester
Alpha,beta-unsaturated carboxylic ester
Secondary alcohol
Carboxylic acid ester
Carboxylic acid derivative
Ether
Monocarboxylic acid or derivatives
Alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organooxygen compound
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

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

163186823

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl (2z)-3-(4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate (NP0286626)

MOL for NP0286626 (methyl (2z)-3-(4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate)

3D MOL for NP0286626 (methyl (2z)-3-(4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate)

3D SDF for NP0286626 (methyl (2z)-3-(4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate)

3D-SDF for NP0286626 (methyl (2z)-3-(4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate)

PDB for NP0286626 (methyl (2z)-3-(4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate)

3D PDB for NP0286626 (methyl (2z)-3-(4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate)

SMILES for NP0286626 (methyl (2z)-3-(4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate)

INCHI for NP0286626 (methyl (2z)-3-(4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate)

Structure for NP0286626 (methyl (2z)-3-(4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate)

3D Structure for NP0286626 (methyl (2z)-3-(4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate)