NP-MRD: Showing NP-Card for (2s,3r,4s,5s,6r)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol (NP0223974)

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Record Information

Version

2.0

Created at

2022-09-06 02:13:03 UTC

Updated at

2022-09-06 02:13:03 UTC

NP-MRD ID

NP0223974

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,4s,5s,6r)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Description

Leonuriside belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. (2s,3r,4s,5s,6r)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol is found in Coriandrum sativum, Elsholtzia bodinieri, Embelia ribes, Eupatorium chinense, Laguncularia racemosa, Leonurus japonicus, Morella rubra, Potalia amara, Prunus ssiori and Swertia japonica. (2s,3r,4s,5s,6r)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol was first documented in 2016 (PMID: 27617339). Based on a literature review a small amount of articles have been published on leonuriside (PMID: 34961588) (PMID: 35936100) (PMID: 30549897) (PMID: 30072618).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
   -2.8338    3.2196   -0.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0404    2.1635   -0.1413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4967    0.8661   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7985    0.5453   -0.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2197   -0.7632   -0.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4973   -1.1397   -0.7317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3609   -1.7053    0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0590   -1.4034    0.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2023   -2.3607    1.0636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6503   -3.6918    1.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6497   -0.0938    0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3815    0.2664    0.8364 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7371    0.2524   -0.0419 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6004   -0.6850    0.4177 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8755   -0.6812   -0.0391 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7944   -1.0022    1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4458   -2.2664    1.6153 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3491    0.5831   -0.6749 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0185    0.5877   -2.0488 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7153    1.8020   -0.0450 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1373    1.9192    1.2753 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2392    1.6337   -0.1879 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8857    2.1662   -1.4500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8492    3.1456   -0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8850    3.1721   -1.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3752    4.1936   -0.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4542    1.2999   -0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6351   -1.4289   -1.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7149   -2.7262    0.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4317   -3.7009    1.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0985   -3.9773    0.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8439   -4.3979    1.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3418   -0.0977   -1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0004   -1.5057   -0.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5515   -0.2836    1.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8615   -0.9525    0.8328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0732   -2.4395    2.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625    0.6431   -0.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6923    0.0639   -2.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418    2.6887   -0.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0608    2.3154    1.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7558    2.3309    0.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8380    1.4445   -2.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 11  3  1  0
 22 13  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  6 28  1  0
  7 29  1  0
 10 30  1  0
 10 31  1  0
 10 32  1  0
 13 33  1  6
 15 34  1  6
 16 35  1  0
 16 36  1  0
 17 37  1  0
 18 38  1  6
 19 39  1  0
 20 40  1  6
 21 41  1  0
 22 42  1  1
 23 43  1  0
M  END


  Mrv1652309062204132D          

 23 24  0  0  1  0            999 V2000
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    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
    0.0000   -1.6500    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   -2.8875    0.0000 O   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   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   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
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  2  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
   -3.5724   -2.8875    0.0000 C   0  0  2  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
   -2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    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
  5  7  2  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
  8 11  2  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0223974

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O)=CC(OC)=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1

> <INCHI_KEY>
NOQYJICHFNSIFZ-DIACKHNESA-N

> <FORMULA>
C14H20O9

> <MOLECULAR_WEIGHT>
332.305

> <EXACT_MASS>
332.110732224

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
31.597983415081842

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_LOGP>
-1.2172954520000003

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.20153019304542

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.82313719170174

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923662077906

> <JCHEM_POLAR_SURFACE_AREA>
138.07000000000002

> <JCHEM_REFRACTIVITY>
75.09060000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5S,6R)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667  -3.080   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      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -9.336  -5.390   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -9.336  -2.310   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    8    3   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   22                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   13   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₄H₂₀O₉

Average Mass

332.3050 Da

Monoisotopic Mass

332.11073 Da

IUPAC Name

(2S,3R,4S,5S,6R)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

(2S,3R,4S,5S,6R)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

COC1=CC(O)=CC(OC)=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1

InChI Key

NOQYJICHFNSIFZ-DIACKHNESA-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
Coriandrum sativum	LOTUS Database	35616633
Elsholtzia bodinieri	LOTUS Database	35616633
Embelia ribes	LOTUS Database	35616633
Eupatorium chinense	LOTUS Database	35616633
Laguncularia racemosa	LOTUS Database	35616633
Leonurus japonicus	LOTUS Database	35616633
Morella rubra	LOTUS Database	35616633
Potalia amara	LOTUS Database	35616633
Prunus ssiori	LOTUS Database	35616633
Swertia japonica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
Hexose monosaccharide
O-glycosyl compound
Methoxyphenol
Dimethoxybenzene
M-dimethoxybenzene
4-alkoxyphenol
Anisole
Phenoxy compound
Phenol ether
Methoxybenzene
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Oxane
Monosaccharide
Monocyclic benzene moiety
Benzenoid
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Acetal
Ether
Polyol
Hydrocarbon derivative
Alcohol
Primary 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	-1.2	ChemAxon
pKa (Strongest Acidic)	9.82	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	138.07 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	75.09 m³·mol⁻¹	ChemAxon
Polarizability	31.6 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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

C00036467

Chemspider ID

23326620

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14237626

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Xiong Y, Cao XY, Liu BY, Dai YQ, Zhou HJ, He JJ, Gong Y, Wu XW, Tang HB: Exploring the mechanism of Buxue Yimu Pill on hemorrhagic anemia through molecular docking, network pharmacology and experimental validation. Chin J Nat Med. 2021 Dec;19(12):900-911. doi: 10.1016/S1875-5364(21)60104-8. [PubMed:34961588 ]
Kasiotis KM, Baira E, Iosifidou S, Bergele K, Manea-Karga E, Theologidis I, Barmpouni T, Tsipi D, Machera K: Characterization of Ikaria Heather Honey by Untargeted Ultrahigh-Performance Liquid Chromatography-High Resolution Mass Spectrometry Metabolomics and Melissopalynological Analysis. Front Chem. 2022 Jul 22;10:924881. doi: 10.3389/fchem.2022.924881. eCollection 2022. [PubMed:35936100 ]
Thai TH, Hai NT, Hien NT, Ha CTT, Cuong NT, Binh PT, Dang NH, Dat NT: ytotoxic Constituents of Mallotus microcarpus. Nat Prod Commun. 2017 Mar;12(3):407-408. [PubMed:30549897 ]
Nguyen VB, Wang SL, Nguyen TH, Nguyen MT, Doan CT, Tran TN, Lin ZH, Nguyen QV, Kuo YH, Nguyen AD: Novel Potent Hypoglycemic Compounds from Euonymus laxiflorus Champ. and Their Effect on Reducing Plasma Glucose in an ICR Mouse Model. Molecules. 2018 Aug 2;23(8):1928. doi: 10.3390/molecules23081928. [PubMed:30072618 ]
Xiao X, Zhao Y, Shu P, Zhao X, Liu Y, Sun J, Zhang Q, Zeng J, Wan Q: Remote Activation of Disarmed Thioglycosides in Latent-Active Glycosylation via Interrupted Pummerer Reaction. J Am Chem Soc. 2016 Oct 12;138(40):13402-13407. doi: 10.1021/jacs.6b08305. Epub 2016 Sep 28. [PubMed:27617339 ]
LOTUS database [Link]

Showing NP-Card for (2s,3r,4s,5s,6r)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol (NP0223974)

MOL for NP0223974 ((2s,3r,4s,5s,6r)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

3D MOL for NP0223974 ((2s,3r,4s,5s,6r)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

3D SDF for NP0223974 ((2s,3r,4s,5s,6r)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

3D-SDF for NP0223974 ((2s,3r,4s,5s,6r)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

PDB for NP0223974 ((2s,3r,4s,5s,6r)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

3D PDB for NP0223974 ((2s,3r,4s,5s,6r)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

SMILES for NP0223974 ((2s,3r,4s,5s,6r)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

INCHI for NP0223974 ((2s,3r,4s,5s,6r)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

Structure for NP0223974 ((2s,3r,4s,5s,6r)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)

3D Structure for NP0223974 ((2s,3r,4s,5s,6r)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol)