NP-MRD: Showing NP-Card for 2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid (NP0255786)

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Record Information

Version

1.0

Created at

2022-09-07 20:24:01 UTC

Updated at

2022-09-07 20:24:02 UTC

NP-MRD ID

NP0255786

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid

Description

2-Hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group. 2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid is found in Neocucurbitaria cava. 2-Hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 43  0  0  0  0  0  0  0  0999 V2000
    7.2650   -0.4367    0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4266    0.3624   -0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1849    0.9454    0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2834   -0.1230    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9982   -0.1100    0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1663    0.8622   -0.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780    0.8069   -0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0786   -0.1665    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3881   -1.2862    0.3801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5353   -0.0158    0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3052   -1.2017    0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5917   -2.3530    0.2827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0868   -3.6298    0.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6713   -1.2041    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3837   -0.0110   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8593   -0.0050   -0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4227   -0.3228   -1.3053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6274    1.1011   -0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3308    2.3778   -0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6905    3.4380   -0.4638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6900    2.4517   -0.5134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2102    1.1454   -0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6370    2.3477   -0.1957 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8039    0.3718    1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9482   -1.1172   -0.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5511   -0.9687    1.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1617   -0.2430   -1.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0909    1.1992   -0.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4294    1.6438    0.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6109    1.4393   -0.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6828   -0.9567    1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4134   -0.9618    0.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    1.7323   -0.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668    1.6527   -1.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9038   -4.2342   -0.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1576   -3.6376    0.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5701   -4.1240    1.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2124   -2.1365    0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0634   -1.1841    0.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3707    0.5232    0.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8989    0.1455   -1.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2839    3.0665    0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8478    2.8167   -0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 22  2  0
 22 23  1  0
 22 18  1  0
 18 19  1  0
 19 21  1  0
 19 20  2  0
 18 15  2  0
 15 16  1  0
 16 17  1  0
 15 14  1  0
 14 11  2  0
 11 12  1  0
 12 13  1  0
 11 10  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  5 32  1  0
  6 33  1  0
  7 34  1  0
 23 43  1  0
 21 42  1  0
 16 39  1  0
 16 40  1  0
 17 41  1  0
 14 38  1  0
 13 35  1  0
 13 36  1  0
 13 37  1  0
M  END


  Mrv1533004201506142D          

 23 23  0  0  0  0            999 V2000
   -2.1434    6.1875    0.0000 C   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
   -1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    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
    0.0000    3.3000    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    2.0625    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    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
    2.1434    1.2375    0.0000 O   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
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   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
   -0.7145    1.2375    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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  4  0  0  0
  4  5  2  0  0  0  0
  6  5  1  4  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 13 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0255786

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC=CC=CC(=O)C1=C(O)C(C(O)=O)=C(CO)C=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C17H20O6/c1-3-4-5-6-7-8-12(19)15-13(23-2)9-11(10-18)14(16(15)20)17(21)22/h5-9,18,20H,3-4,10H2,1-2H3,(H,21,22)

> <INCHI_KEY>
NLNHSFBYVSNFRF-UHFFFAOYSA-N

> <FORMULA>
C17H20O6

> <MOLECULAR_WEIGHT>
320.341

> <EXACT_MASS>
320.125988364

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
33.60730155955794

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid

> <ALOGPS_LOGP>
2.75

> <JCHEM_LOGP>
3.8191708929999995

> <ALOGPS_LOGS>
-3.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.920980235476385

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.5808953934619914

> <JCHEM_PKA_STRONGEST_BASIC>
-3.058922731589411

> <JCHEM_POLAR_SURFACE_AREA>
104.06

> <JCHEM_REFRACTIVITY>
88.81880000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.20e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  C   UNK     0      -4.001  11.550   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667  10.780   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   6.930   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   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       5.335  -0.000   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   21                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   17                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   13   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   21                                                       
CONECT   21   20   10   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Value	Source
2-Hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoate	Generator

Chemical Formula

C₁₇H₂₀O₆

Average Mass

320.3410 Da

Monoisotopic Mass

320.12599 Da

IUPAC Name

2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid

Traditional Name

2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid

CAS Registry Number

Not Available

SMILES

CCCC=CC=CC(=O)C1=C(O)C(C(O)=O)=C(CO)C=C1OC

InChI Identifier

InChI=1S/C17H20O6/c1-3-4-5-6-7-8-12(19)15-13(23-2)9-11(10-18)14(16(15)20)17(21)22/h5-9,18,20H,3-4,10H2,1-2H3,(H,21,22)

InChI Key

NLNHSFBYVSNFRF-UHFFFAOYSA-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

Species Name	Source	Reference
Neocucurbitaria cava	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

P-methoxybenzoic acids and derivatives

Alternative Parents

Substituents

P-methoxybenzoic acid or derivatives
Hydroxybenzoic acid
Salicylic acid
Salicylic acid or derivatives
Methoxyphenol
Benzoic acid
Phenoxy compound
Anisole
Methoxybenzene
Benzoyl
Benzyl alcohol
Aryl ketone
Phenol ether
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Acryloyl-group
Vinylogous acid
Alpha,beta-unsaturated ketone
Enone
Ketone
Ether
Carboxylic acid
Carboxylic acid derivative
Organic oxide
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Aromatic alcohol
Primary alcohol
Organooxygen 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	2.75	ALOGPS
logP	3.82	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	2.58	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	104.06 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	88.82 m³·mol⁻¹	ChemAxon
Polarizability	33.61 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

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

180950

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid (NP0255786)

MOL for NP0255786 (2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid)

3D MOL for NP0255786 (2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid)

3D SDF for NP0255786 (2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid)

3D-SDF for NP0255786 (2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid)

PDB for NP0255786 (2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid)

3D PDB for NP0255786 (2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid)

SMILES for NP0255786 (2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid)

INCHI for NP0255786 (2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid)

Structure for NP0255786 (2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid)

3D Structure for NP0255786 (2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(octa-2,4-dienoyl)benzoic acid)