NP-MRD: Showing NP-Card for 3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (NP0330165)

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Record Information

Version

2.0

Created at

2022-09-12 15:15:08 UTC

Updated at

2022-09-12 15:15:08 UTC

NP-MRD ID

NP0330165

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Description

3-Hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed. 3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is found in Durio zibethinus. 3-Hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171507572D          

 53 56  0  0  0  0            999 V2000
   -5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -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   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 51  1  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1533004171507572D          

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  1  2  1  0  0  0  0
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M  END
> <DATABASE_ID>
NP0330165

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1O)C(O)C(COC(=O)C=CC1=CC=C(O)C(OC)=C1)OC1=CC=C(CCCOC(=O)C=CC2=CC=C(O)C(OC)=C2)C=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C40H42O13/c1-47-32-16-12-28(23-31(32)43)40(46)37(24-52-39(45)18-11-27-8-14-30(42)35(21-27)49-3)53-33-15-9-25(22-36(33)50-4)6-5-19-51-38(44)17-10-26-7-13-29(41)34(20-26)48-2/h7-18,20-23,37,40-43,46H,5-6,19,24H2,1-4H3

> <INCHI_KEY>
KKLMVWZOQVHRCK-UHFFFAOYSA-N

> <FORMULA>
C40H42O13

> <MOLECULAR_WEIGHT>
730.763

> <EXACT_MASS>
730.262541412

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
95

> <JCHEM_AVERAGE_POLARIZABILITY>
77.04075255759227

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

> <ALOGPS_LOGP>
5.20

> <JCHEM_LOGP>
6.771658294666667

> <ALOGPS_LOGS>
-5.77

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.841523491972433

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.36274988696275

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5208525569268954

> <JCHEM_POLAR_SURFACE_AREA>
179.67

> <JCHEM_REFRACTIVITY>
196.1616

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.25e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

> <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                                  
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HETATM    3  C   UNK     0      -6.668 -10.010   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.001 -11.550   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.335 -12.320   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  O   UNK     0      -8.002 -12.320   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -2.667 -13.860   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0     -10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       0.000 -12.320   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       9.336 -10.010   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      10.669  -7.700   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      12.003 -10.010   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      14.670 -10.010   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      16.004  -9.240   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      17.338 -10.010   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      17.338 -11.550   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      18.672 -12.320   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      16.004 -12.320   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      16.004 -13.860   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      14.670 -14.630   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      14.670 -11.550   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0       2.667 -13.860   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0       1.334 -14.630   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8                                                            
CONECT   10    6   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   28                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   27                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   24   19                                                       
CONECT   28   12   29                                                       
CONECT   29   28   30   51                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   50                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   49                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   47   49                                                  
CONECT   47   46   48                                                       
CONECT   48   47                                                            
CONECT   49   46   41                                                       
CONECT   50   32   51                                                       
CONECT   51   50   29   52                                                  
CONECT   52   51   53                                                       
CONECT   53   52                                                            
MASTER        0    0    0    0    0    0    0    0   53    0  112    0
END

View in JSmol

Synonyms

Value	Source
3-Hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid	Generator

Chemical Formula

C₄₀H₄₂O₁₃

Average Mass

730.7630 Da

Monoisotopic Mass

730.26254 Da

IUPAC Name

3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Traditional Name

3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=C1O)C(O)C(COC(=O)C=CC1=CC=C(O)C(OC)=C1)OC1=CC=C(CCCOC(=O)C=CC2=CC=C(O)C(OC)=C2)C=C1OC

InChI Identifier

InChI=1S/C40H42O13/c1-47-32-16-12-28(23-31(32)43)40(46)37(24-52-39(45)18-11-27-8-14-30(42)35(21-27)49-3)53-33-15-9-25(22-36(33)50-4)6-5-19-51-38(44)17-10-26-7-13-29(41)34(20-26)48-2/h7-18,20-23,37,40-43,46H,5-6,19,24H2,1-4H3

InChI Key

KKLMVWZOQVHRCK-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
Durio zibethinus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Not Available

Sub Class

Not Available

Direct Parent

Lignans, neolignans and related compounds

Alternative Parents

Substituents

Norlignan skeleton
Neolignan skeleton
Hydroxycinnamic acid or derivatives
Cinnamic acid or derivatives
Coumaric acid or derivatives
Cinnamic acid ester
Methoxyphenol
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Styrene
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Fatty acid ester
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Dicarboxylic acid or derivatives
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Secondary alcohol
Ether
Carboxylic acid derivative
Aromatic alcohol
Organic oxygen compound
Alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxide
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	5.2	ALOGPS
logP	6.77	ChemAxon
logS	-5.8	ALOGPS
pKa (Strongest Acidic)	9.36	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	179.67 Å²	ChemAxon
Rotatable Bond Count	20	ChemAxon
Refractivity	196.16 m³·mol⁻¹	ChemAxon
Polarizability	77.04 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 3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (NP0330165)

MOL for NP0330165 (3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

3D MOL for NP0330165 (3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

3D SDF for NP0330165 (3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

3D-SDF for NP0330165 (3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

PDB for NP0330165 (3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

3D PDB for NP0330165 (3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

SMILES for NP0330165 (3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

INCHI for NP0330165 (3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

Structure for NP0330165 (3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

3D Structure for NP0330165 (3-hydroxy-2-[4-(3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-2-methoxyphenoxy]-3-(3-hydroxy-4-methoxyphenyl)propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)