NP-MRD: Showing NP-Card for (1e)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate (NP0297007)

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Record Information

Version

2.0

Created at

2022-09-10 06:57:23 UTC

Updated at

2022-09-10 06:57:23 UTC

NP-MRD ID

NP0297007

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1e)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate

Description

Bis(2-methylpropionic acid)2-(2-hydroxy-4-methylphenyl)-1-propene-1,3-diyl ester belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively. Based on a literature review very few articles have been published on Bis(2-methylpropionic acid)2-(2-hydroxy-4-methylphenyl)-1-propene-1,3-diyl ester.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 47  0  0  0  0  0  0  0  0999 V2000
   -0.8153    4.7548   -1.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6504    3.2773   -0.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7010    2.4054   -1.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5516    1.0257   -0.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2905    0.4983   -0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0587   -0.9321   -0.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0740   -1.7775   -0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3924   -1.4834   -0.3366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0797   -1.4193    0.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4093   -1.6473    1.9146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5177   -1.1068    1.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8349    0.2772    0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2446   -2.0748    0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205   -1.5146   -0.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1751   -1.1676    0.4430 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618   -1.7238    0.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7743   -2.4905   -0.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4460   -1.4096    1.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7318   -2.1447    1.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    0.0837    1.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7796    1.3931   -0.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0858    1.0072   -0.3833 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5918    2.7724   -0.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768    5.2100   -1.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6632    4.9130   -1.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0824    5.2195   -0.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7060    2.8198   -1.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4185    0.4374   -1.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7389   -2.8519   -0.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8801   -1.2294    2.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8661    0.5491    0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1391    1.0388    0.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7925    0.2521   -0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6511   -2.2831   -0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2358   -1.6801   -0.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4185   -3.0516    0.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3446   -2.5940   -0.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7191   -1.0966   -1.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448   -1.6829    2.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6597   -3.2250    1.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5487   -1.7058    1.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527   -2.0382    0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9464    0.6078    1.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7708    0.3826    0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7495    0.2840    1.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8263    1.6694   -0.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4366    3.4522   -0.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 18  1  0
 18 20  1  0
 18 16  1  0
 16 17  2  0
 16 15  1  0
 15 14  1  0
 14  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
  6  5  1  0
  5  4  2  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  2 23  1  0
 23 21  2  0
 21 22  1  0
 21  5  1  0
 19 40  1  0
 19 41  1  0
 19 42  1  0
 18 39  1  0
 20 43  1  0
 20 44  1  0
 20 45  1  0
 14 37  1  0
 14 38  1  0
  7 29  1  0
 11 30  1  0
 12 31  1  0
 12 32  1  0
 12 33  1  0
 13 34  1  0
 13 35  1  0
 13 36  1  0
  4 28  1  0
  3 27  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
 23 47  1  0
 22 46  1  0
M  END


  Mrv1652309102208572D          

 23 23  0  0  0  0            999 V2000
   -2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    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
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    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
   -1.4289    6.6000    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    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    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
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
  2 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0297007

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C(=O)OC\C(=C\OC(=O)C(C)C)C1=CC=C(C)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C18H24O5/c1-11(2)17(20)22-9-14(10-23-18(21)12(3)4)15-7-6-13(5)8-16(15)19/h6-9,11-12,19H,10H2,1-5H3/b14-9-

> <INCHI_KEY>
JHPNYTLPIGZXRG-ZROIWOOFSA-N

> <FORMULA>
C18H24O5

> <MOLECULAR_WEIGHT>
320.385

> <EXACT_MASS>
320.162373873

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
35.25826774261973

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1E)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate

> <JCHEM_LOGP>
4.1870108859999995

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.055663482880378

> <JCHEM_PKA_STRONGEST_BASIC>
-6.080414192485102

> <JCHEM_POLAR_SURFACE_AREA>
72.83

> <JCHEM_REFRACTIVITY>
87.5066

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1E)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      -5.335   3.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.001   5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   5.390   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   7.700   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.334   8.470   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.334  10.010   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -0.000  10.780   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -2.667  10.780   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.001  10.010   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   5.390   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.667   6.160   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       4.001   5.390   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.335   7.700   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668   5.390   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.000   3.080   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -2.667   3.080   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   23                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   21                                                  
CONECT    6    5    7   14                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    6   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21    5   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21    2                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Value	Source
Bis(2-methylpropionate)2-(2-hydroxy-4-methylphenyl)-1-propene-1,3-diyl ester	Generator

Chemical Formula

C₁₈H₂₄O₅

Average Mass

320.3850 Da

Monoisotopic Mass

320.16237 Da

IUPAC Name

(1E)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate

Traditional Name

(1E)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate

CAS Registry Number

Not Available

SMILES

CC(C)C(=O)OC\C(=C\OC(=O)C(C)C)C1=CC=C(C)C=C1O

InChI Identifier

InChI=1S/C18H24O5/c1-11(2)17(20)22-9-14(10-23-18(21)12(3)4)15-7-6-13(5)8-16(15)19/h6-9,11-12,19H,10H2,1-5H3/b14-9-

InChI Key

JHPNYTLPIGZXRG-ZROIWOOFSA-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 meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Styrene
M-cresol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Toluene
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Enol ester
Carboxylic acid ester
Carboxylic acid derivative
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
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	4.19	ChemAxon
pKa (Strongest Acidic)	9.06	ChemAxon
pKa (Strongest Basic)	-6.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	72.83 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	87.51 m³·mol⁻¹	ChemAxon
Polarizability	35.26 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	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

Not Available

Chemspider ID

8933363

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10758043

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1e)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate (NP0297007)

MOL for NP0297007 ((1e)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate)

3D MOL for NP0297007 ((1e)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate)

3D SDF for NP0297007 ((1e)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate)

3D-SDF for NP0297007 ((1e)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate)

PDB for NP0297007 ((1e)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate)

3D PDB for NP0297007 ((1e)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate)

SMILES for NP0297007 ((1e)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate)

INCHI for NP0297007 ((1e)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate)

Structure for NP0297007 ((1e)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate)

3D Structure for NP0297007 ((1e)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate)