NP-MRD: Showing NP-Card for 1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol (NP0257329)

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Record Information

Version

2.0

Created at

2022-09-07 22:25:56 UTC

Updated at

2022-09-07 22:25:57 UTC

NP-MRD ID

NP0257329

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol

Description

1-(4-Hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol belongs to the class of organic compounds known as 7,9'-epoxylignans. These are lignans that contain the 7,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively. 1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol is found in Senna occidentalis. 1-(4-Hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171501342D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004171501342D          

 42 45  0  0  0  0            999 V2000
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    1.7219   -7.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3864   -6.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5659   -6.7873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2370   -8.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5726   -9.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165   -8.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -8.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8889   -8.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2244   -8.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0449   -7.9497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7395   -7.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0751   -6.6148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5902   -5.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810   -7.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6918   -6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713   -6.2061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5357   -5.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1767   -5.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091   -1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380   -1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525   -1.2991    0.0000 O   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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  2  0  0  0  0
 26 34  1  0  0  0  0
 19 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 14 38  1  0  0  0  0
  5 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
  3 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0257329

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(CC2COC(C2CO)C2=CC(OC)=C(OC(CO)C(O)C3=CC=C(O)C(OC)=C3)C(OC)=C2)=CC=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C31H38O11/c1-37-24-10-17(5-7-22(24)34)9-20-16-41-30(21(20)14-32)19-12-26(39-3)31(27(13-19)40-4)42-28(15-33)29(36)18-6-8-23(35)25(11-18)38-2/h5-8,10-13,20-21,28-30,32-36H,9,14-16H2,1-4H3

> <INCHI_KEY>
SXNFVPYRZNNKOI-UHFFFAOYSA-N

> <FORMULA>
C31H38O11

> <MOLECULAR_WEIGHT>
586.634

> <EXACT_MASS>
586.241412044

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
61.38481169357799

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol

> <ALOGPS_LOGP>
2.34

> <JCHEM_LOGP>
2.296099751333332

> <ALOGPS_LOGS>
-4.35

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.422284690157412

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.749884197781371

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6393335129688964

> <JCHEM_POLAR_SURFACE_AREA>
156.53

> <JCHEM_REFRACTIVITY>
153.12079999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.61e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      15.805  -4.735   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      14.471  -5.505   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      13.138  -4.735   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.804  -5.505   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.470  -4.735   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.137  -5.505   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.137  -7.045   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.382  -7.950   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       9.907  -9.415   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       8.367  -9.415   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.891  -7.950   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.426  -7.474   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.106  -5.968   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       7.461 -10.661   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.088 -12.068   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.183 -13.313   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       7.809 -14.720   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       6.904 -15.966   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.651 -13.152   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.746 -14.398   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       3.214 -14.237   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.588 -12.831   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.056 -12.670   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.309 -15.483   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.935 -16.890   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.777 -15.322   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.128 -16.568   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.659 -16.407   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.286 -15.000   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -3.817 -14.839   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -1.380 -13.754   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -2.007 -12.348   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -1.102 -11.102   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.151 -13.915   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.025 -11.746   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       3.493 -11.585   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       2.867 -10.178   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.930 -10.500   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      10.470  -3.195   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      11.804  -2.425   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      13.138  -3.195   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      14.471  -2.425   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   41                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   39                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   11                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   14                                                  
CONECT   11   10    7   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   10   15   38                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   20   35                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   21   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   34                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   26                                                       
CONECT   35   19   36   38                                                  
CONECT   36   35   37                                                       
CONECT   37   36                                                            
CONECT   38   35   14                                                       
CONECT   39    5   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40    3   42                                                  
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₃₈O₁₁

Average Mass

586.6340 Da

Monoisotopic Mass

586.24141 Da

IUPAC Name

1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol

Traditional Name

1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol

CAS Registry Number

Not Available

SMILES

COC1=CC(CC2COC(C2CO)C2=CC(OC)=C(OC(CO)C(O)C3=CC=C(O)C(OC)=C3)C(OC)=C2)=CC=C1O

InChI Identifier

InChI=1S/C31H38O11/c1-37-24-10-17(5-7-22(24)34)9-20-16-41-30(21(20)14-32)19-12-26(39-3)31(27(13-19)40-4)42-28(15-33)29(36)18-6-8-23(35)25(11-18)38-2/h5-8,10-13,20-21,28-30,32-36H,9,14-16H2,1-4H3

InChI Key

SXNFVPYRZNNKOI-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
Senna occidentalis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 7,9'-epoxylignans. These are lignans that contain the 7,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Furanoid lignans

Sub Class

Tetrahydrofuran lignans

Direct Parent

7,9'-epoxylignans

Alternative Parents

Substituents

7,9p-epoxylignan
M-dimethoxybenzene
Dimethoxybenzene
Methoxyphenol
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Tetrahydrofuran
Secondary alcohol
Organoheterocyclic compound
Ether
Dialkyl ether
Oxacycle
Primary alcohol
Alcohol
Aromatic alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	2.34	ALOGPS
logP	2.3	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	9.75	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	156.53 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	153.12 m³·mol⁻¹	ChemAxon
Polarizability	61.38 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol (NP0257329)

MOL for NP0257329 (1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol)

3D MOL for NP0257329 (1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol)

3D SDF for NP0257329 (1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol)

3D-SDF for NP0257329 (1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol)

PDB for NP0257329 (1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol)

3D PDB for NP0257329 (1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol)

SMILES for NP0257329 (1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol)

INCHI for NP0257329 (1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol)

Structure for NP0257329 (1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol)

3D Structure for NP0257329 (1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol)