NP-MRD: Showing NP-Card for (3,4-dimethoxyphenyl)[(3r,5r,6r)-6-(3,4-dimethoxyphenyl)-5-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol (NP0244512)

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Record Information

Version

2.0

Created at

2022-09-07 05:19:44 UTC

Updated at

2022-09-07 05:19:44 UTC

NP-MRD ID

NP0244512

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3,4-dimethoxyphenyl)[(3r,5r,6r)-6-(3,4-dimethoxyphenyl)-5-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol

Description

Morinol B belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain. (3,4-dimethoxyphenyl)[(3r,5r,6r)-6-(3,4-dimethoxyphenyl)-5-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol is found in Morina chinensis. (3,4-dimethoxyphenyl)[(3r,5r,6r)-6-(3,4-dimethoxyphenyl)-5-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol was first documented in 2009 (PMID: 19129639). Based on a literature review a small amount of articles have been published on Morinol B (PMID: 23896495) (PMID: 20944407).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072207192D          

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    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868   -6.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 38 39  2  0  0  0  0
  3 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072207192D          

 41 44  0  0  1  0            999 V2000
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    9.2881   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    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
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    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
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -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  1  0  0  0  0
  3  4  2  0  0  0  0
  4  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
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  2  0  0  0  0
 15 24  1  0  0  0  0
 12 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 10 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  2  0  0  0  0
 28 37  1  0  0  0  0
  6 38  1  0  0  0  0
 38 39  2  0  0  0  0
  3 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0244512

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(\C=C\C[C@@H]2C[C@H](CO[C@H]2C2=CC=C(OC)C(OC)=C2)C(O)C2=CC=C(OC)C(OC)=C2)C=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C33H40O8/c1-35-26-13-10-21(16-29(26)38-4)8-7-9-23-17-25(32(34)22-11-14-27(36-2)30(18-22)39-5)20-41-33(23)24-12-15-28(37-3)31(19-24)40-6/h7-8,10-16,18-19,23,25,32-34H,9,17,20H2,1-6H3/b8-7+/t23-,25-,32?,33-/m1/s1

> <INCHI_KEY>
DHPIOVHVFXYRTA-DNSQPKCISA-N

> <FORMULA>
C33H40O8

> <MOLECULAR_WEIGHT>
564.675

> <EXACT_MASS>
564.272318248

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
61.89662540007465

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3,4-dimethoxyphenyl)[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol

> <JCHEM_LOGP>
5.120480421333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.109656193766952

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1882363808463348

> <JCHEM_POLAR_SURFACE_AREA>
84.84000000000002

> <JCHEM_REFRACTIVITY>
158.28699999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3,4-dimethoxyphenyl)[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.669 -12.320   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.003 -11.550   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      12.003 -10.010   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      13.337 -12.320   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.337 -13.860   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.670 -14.630   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      16.004 -13.860   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      17.338 -14.630   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      17.338 -16.170   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      16.004 -12.320   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      17.338 -11.550   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      17.338 -10.010   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      14.670 -11.550   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       9.336 -14.630   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.668 -14.630   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.668 -16.170   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.335 -16.940   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.001 -16.170   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.667 -16.940   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       1.334 -16.170   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.001 -14.630   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       2.667 -13.860   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.335 -13.860   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   39                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   38                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   27                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   25                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   24                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21   18   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   21   15                                                       
CONECT   25   12   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   10   28                                                  
CONECT   28   27   29   37                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   35   37                                                  
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   34   28                                                       
CONECT   38    6   39                                                       
CONECT   39   38    3   40                                                  
CONECT   40   39   41                                                       
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₄₀O₈

Average Mass

564.6750 Da

Monoisotopic Mass

564.27232 Da

IUPAC Name

(3,4-dimethoxyphenyl)[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol

Traditional Name

(3,4-dimethoxyphenyl)[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol

CAS Registry Number

Not Available

SMILES

COC1=CC=C(\C=C\C[C@@H]2C[C@H](CO[C@H]2C2=CC=C(OC)C(OC)=C2)C(O)C2=CC=C(OC)C(OC)=C2)C=C1OC

InChI Identifier

InChI=1S/C33H40O8/c1-35-26-13-10-21(16-29(26)38-4)8-7-9-23-17-25(32(34)22-11-14-27(36-2)30(18-22)39-5)20-41-33(23)24-12-15-28(37-3)31(19-24)40-6/h7-8,10-16,18-19,23,25,32-34H,9,17,20H2,1-6H3/b8-7+/t23-,25-,32?,33-/m1/s1

InChI Key

DHPIOVHVFXYRTA-DNSQPKCISA-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
Morina chinensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Sub Class

Linear diarylheptanoids

Direct Parent

Linear diarylheptanoids

Alternative Parents

Substituents

Linear 1,7-diphenylheptane skeleton
O-dimethoxybenzene
Dimethoxybenzene
Phenoxy compound
Anisole
Methoxybenzene
Styrene
Phenol ether
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Oxane
Secondary alcohol
Organoheterocyclic compound
Ether
Dialkyl ether
Oxacycle
Aromatic alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Alcohol
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	5.12	ChemAxon
pKa (Strongest Acidic)	14.11	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	84.84 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	158.29 m³·mol⁻¹	ChemAxon
Polarizability	61.9 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

C00039794

Chemspider ID

8183657

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10008077

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Yamauchi S, Kawahara S, Wukirsari T, Nishiwaki H, Nishi K, Sugahara T, Akiyama K, Kishida T: Structure-cytotoxic activity relationship of sesquilignan, morinol A. Bioorg Med Chem Lett. 2013 Sep 1;23(17):4923-30. doi: 10.1016/j.bmcl.2013.06.067. Epub 2013 Jul 9. [PubMed:23896495 ]
Masuda K, Nishiwaki H, Akiyama K, Yamauchi S, Maruyama M, Sugahara T, Kishida T: Antifungal activity of morinol B derivatives of tetrahydropyran sesquilignan. Biosci Biotechnol Biochem. 2010;74(10):2071-6. doi: 10.1271/bbb.100422. Epub 2010 Oct 7. [PubMed:20944407 ]
Akiyama K, Yamauchi S, Maruyama M, Sugahara T, Kishida T, Koba Y: Antimicrobial activity of stereoisomers of morinols a and B, tetrahydropyran sesquineolignans. Biosci Biotechnol Biochem. 2009 Jan;73(1):129-33. doi: 10.1271/bbb.80536. Epub 2009 Jan 7. [PubMed:19129639 ]
LOTUS database [Link]

Showing NP-Card for (3,4-dimethoxyphenyl)[(3r,5r,6r)-6-(3,4-dimethoxyphenyl)-5-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol (NP0244512)

MOL for NP0244512 ((3,4-dimethoxyphenyl)[(3r,5r,6r)-6-(3,4-dimethoxyphenyl)-5-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol)

3D MOL for NP0244512 ((3,4-dimethoxyphenyl)[(3r,5r,6r)-6-(3,4-dimethoxyphenyl)-5-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol)

3D SDF for NP0244512 ((3,4-dimethoxyphenyl)[(3r,5r,6r)-6-(3,4-dimethoxyphenyl)-5-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol)

3D-SDF for NP0244512 ((3,4-dimethoxyphenyl)[(3r,5r,6r)-6-(3,4-dimethoxyphenyl)-5-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol)

PDB for NP0244512 ((3,4-dimethoxyphenyl)[(3r,5r,6r)-6-(3,4-dimethoxyphenyl)-5-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol)

3D PDB for NP0244512 ((3,4-dimethoxyphenyl)[(3r,5r,6r)-6-(3,4-dimethoxyphenyl)-5-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol)

SMILES for NP0244512 ((3,4-dimethoxyphenyl)[(3r,5r,6r)-6-(3,4-dimethoxyphenyl)-5-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol)

INCHI for NP0244512 ((3,4-dimethoxyphenyl)[(3r,5r,6r)-6-(3,4-dimethoxyphenyl)-5-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol)

Structure for NP0244512 ((3,4-dimethoxyphenyl)[(3r,5r,6r)-6-(3,4-dimethoxyphenyl)-5-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol)

3D Structure for NP0244512 ((3,4-dimethoxyphenyl)[(3r,5r,6r)-6-(3,4-dimethoxyphenyl)-5-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]oxan-3-yl]methanol)