NP-MRD: Showing NP-Card for 6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside) (NP0062986)

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Record Information

Version

1.0

Created at

2022-04-28 07:30:28 UTC

Updated at

2022-04-28 07:30:28 UTC

NP-MRD ID

NP0062986

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside)

Description

7-Hydroxy-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. 6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside) is found in Ampelopsis grossedentata. It was first documented in 2022 (PMID: 35483916). Based on a literature review a significant number of articles have been published on 7-hydroxy-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one (PMID: 35483915) (PMID: 35483914) (PMID: 35483913) (PMID: 35483912).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282209302D          

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M  END

     RDKit          3D

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  Mrv1652304282209302D          

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    9.0681    3.5854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0681    4.4104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7825    4.8229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4970    4.4104    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4970    3.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2115    4.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2115    5.6479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    6.0604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9259    6.8854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6404    7.2979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3549    6.8854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3549    6.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6404    5.6479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0693    7.2979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6404    8.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2115    7.2979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7825    5.6479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3536    4.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3536    3.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7825    0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 14 22  1  0  0  0  0
  2 23  1  0  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 28 30  1  6  0  0  0
 30 31  1  0  0  0  0
 32 31  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 37  1  0  0  0  0
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 33 40  1  6  0  0  0
 27 41  1  6  0  0  0
 26 42  1  1  0  0  0
 25 43  1  6  0  0  0
  1 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0062986

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC2=C1OCO2)C1=COC2=CC(O)=C(O[C@@H]3O[C@@H](CO[C@H]4OC[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H30O16/c1-37-17-2-10(3-18-26(17)42-9-41-18)12-6-38-15-5-13(29)16(4-11(15)20(12)31)43-28-25(36)23(34)22(33)19(44-28)8-40-27-24(35)21(32)14(30)7-39-27/h2-6,14,19,21-25,27-30,32-36H,7-9H2,1H3/t14-,19-,21+,22+,23-,24+,25+,27+,28+/m0/s1

> <INCHI_KEY>
YIADNKPSPOPEJL-SZBVVHIBSA-N

> <FORMULA>
C28H30O16

> <MOLECULAR_WEIGHT>
622.532

> <EXACT_MASS>
622.153384886

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
59.719199146308426

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7-hydroxy-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one

> <ALOGPS_LOGP>
-0.05

> <JCHEM_LOGP>
-1.2125688836666677

> <ALOGPS_LOGS>
-2.59

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.922644665445002

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.777818298886414

> <JCHEM_PKA_STRONGEST_BASIC>
-3.526580404084756

> <JCHEM_POLAR_SURFACE_AREA>
232.51999999999998

> <JCHEM_REFRACTIVITY>
140.52730000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.61e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7-hydroxy-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      16.927   2.073   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.927   3.613   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      15.593   4.383   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.260   3.613   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.260   2.073   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      15.593   1.303   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      12.926   1.303   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      11.592   2.073   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.592   3.613   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.926   4.383   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      12.926   5.923   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      10.259   4.383   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.925   3.613   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.591   4.383   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.591   5.923   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.925   6.693   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.259   5.923   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       8.925   8.233   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       7.591   9.003   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.127   6.399   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.221   5.153   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.127   3.907   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      18.261   4.383   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      18.261   5.923   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      16.927   6.693   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      16.927   8.233   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      18.261   9.003   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      19.594   8.233   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      19.594   6.693   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      20.928   9.003   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      20.928  10.543   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      22.262  11.313   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      22.262  12.853   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      23.595  13.623   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      24.929  12.853   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      24.929  11.313   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      23.595  10.543   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      26.263  13.623   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      23.595  15.163   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      20.928  13.623   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      18.261  10.543   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      15.593   9.003   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      15.593   5.923   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      18.261   1.303   0.000  0.00  0.00           O+0
CONECT    1    2    6   44                                                  
CONECT    2    1    3   23                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   12                                                  
CONECT   10    9    4   11                                                  
CONECT   11   10                                                            
CONECT   12    9   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16   20                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16   12                                                       
CONECT   18   16   19                                                       
CONECT   19   18                                                            
CONECT   20   15   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   14                                                       
CONECT   23    2   24                                                       
CONECT   24   23   25   29                                                  
CONECT   25   24   26   43                                                  
CONECT   26   25   27   42                                                  
CONECT   27   26   28   41                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28   24                                                       
CONECT   30   28   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   37                                                  
CONECT   33   32   34   40                                                  
CONECT   34   33   35   39                                                  
CONECT   35   34   36   38                                                  
CONECT   36   35   37                                                       
CONECT   37   36   32                                                       
CONECT   38   35                                                            
CONECT   39   34                                                            
CONECT   40   33                                                            
CONECT   41   27                                                            
CONECT   42   26                                                            
CONECT   43   25                                                            
CONECT   44    1                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₀O₁₆

Average Mass

622.5320 Da

Monoisotopic Mass

622.15338 Da

IUPAC Name

7-hydroxy-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one

Traditional Name

7-hydroxy-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC2=C1OCO2)C1=COC2=CC(O)=C(O[C@@H]3O[C@@H](CO[C@H]4OC[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2C1=O

InChI Identifier

InChI=1S/C28H30O16/c1-37-17-2-10(3-18-26(17)42-9-41-18)12-6-38-15-5-13(29)16(4-11(15)20(12)31)43-28-25(36)23(34)22(33)19(44-28)8-40-27-24(35)21(32)14(30)7-39-27/h2-6,14,19,21-25,27-30,32-36H,7-9H2,1H3/t14-,19-,21+,22+,23-,24+,25+,27+,28+/m0/s1

InChI Key

YIADNKPSPOPEJL-SZBVVHIBSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Nekemias grossedentata	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflavonoid O-glycosides

Direct Parent

Isoflavonoid O-glycosides

Alternative Parents

Substituents

Isoflavonoid-6-o-glycoside
Isoflavonoid o-glycoside
3p-methoxyisoflavone
Hydroxyisoflavonoid
Isoflavone
Phenolic glycoside
O-glycosyl compound
Glycosyl compound
Disaccharide
Chromone
1-benzopyran
Benzopyran
Benzodioxole
Anisole
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Alkyl aryl ether
Benzenoid
Pyran
Oxane
Heteroaromatic compound
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	-0.05	ALOGPS
logP	-1.2	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	6.78	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	232.52 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	140.53 m³·mol⁻¹	ChemAxon
Polarizability	59.72 Å³	ChemAxon
Number of Rings	6	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

163035242

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Uchida Y, Kan H, Sakurai K, Horimoto Y, Hayashi E, Iida A, Okamura N, Oishi K, Matsukawa N: APOE varepsilon4 dose associates with increased brain iron and beta-amyloid via blood-brain barrier dysfunction. J Neurol Neurosurg Psychiatry. 2022 Apr 28. pii: jnnp-2021-328519. doi: 10.1136/jnnp-2021-328519. [PubMed:35483916 ]
Cacciaguerra L, Pagani E, Radaelli M, Mesaros S, Martinelli V, Ivanovic J, Drulovic J, Filippi M, Rocca MA: MR T2-relaxation time as an indirect measure of brain water content and disease activity in NMOSD. J Neurol Neurosurg Psychiatry. 2022 Apr 28. pii: jnnp-2022-328956. doi: 10.1136/jnnp-2022-328956. [PubMed:35483915 ]
Broomfield NM, West R, Barber M, Quinn TJ, Gillespie D, Walters M, House A: TEARS: a longitudinal investigation of the prevalence, psychological associations and trajectory of poststroke emotionalism. J Neurol Neurosurg Psychiatry. 2022 Apr 28. pii: jnnp-2022-329042. doi: 10.1136/jnnp-2022-329042. [PubMed:35483914 ]
Khankari J, Yu Y, Ouyang J, Hussein R, Do HM, Heit JJ, Zaharchuk G: Automated detection of arterial landmarks and vascular occlusions in patients with acute stroke receiving digital subtraction angiography using deep learning. J Neurointerv Surg. 2022 Apr 28. pii: neurintsurg-2021-018638. doi: 10.1136/neurintsurg-2021-018638. [PubMed:35483913 ]
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Showing NP-Card for 6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside) (NP0062986)

MOL for NP0062986 (6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside))

3D MOL for NP0062986 (6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside))

3D SDF for NP0062986 (6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside))

3D-SDF for NP0062986 (6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside))

PDB for NP0062986 (6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside))

3D PDB for NP0062986 (6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside))

SMILES for NP0062986 (6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside))

INCHI for NP0062986 (6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside))

Structure for NP0062986 (6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside))

3D Structure for NP0062986 (6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside))