NP-MRD: Showing NP-Card for Compound 6 (NP0332265)

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Record Information

Version

2.0

Created at

2023-12-21 12:00:42 UTC

Updated at

2024-09-03 04:18:38 UTC

NP-MRD ID

NP0332265

Natural Product DOI

https://doi.org/10.57994/1460

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Compound 6

Description

Compound 6 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. Compound 6 was first documented in 2024 (PMID: 39303767). Based on a literature review a small amount of articles have been published on Compound 6 (PMID: 39269321) (PMID: 39253381) (PMID: 39241481) (PMID: 39222351).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 12212312002D          

 35 37  0  0  1  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  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
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0206   -0.8630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -2.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1353   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7484   -2.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3068   -0.9576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363   -2.3058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032   -5.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4817   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6377   -5.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4582   -5.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9431   -5.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4884   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
  3 12  1  0  0  0  0
 13  2  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  6  0  0  0
 13 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 17 23  1  1  0  0  0
 17 24  1  0  0  0  0
 24 15  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  2  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
 27 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  2  0  0  0  0
 25 35  1  0  0  0  0
M  END


  Mrv2104 12212312002D          

 35 37  0  0  1  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  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
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0206   -0.8630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -2.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1353   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7484   -2.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3068   -0.9576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363   -2.3058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032   -5.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4817   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6377   -5.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4582   -5.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9431   -5.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4884   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
  3 12  1  0  0  0  0
 13  2  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  6  0  0  0
 13 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 17 23  1  1  0  0  0
 17 24  1  0  0  0  0
 24 15  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  2  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
 27 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  2  0  0  0  0
 25 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0332265

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(CO[C@@H](C2=CC(OC)=C(OCC)C=C2)[C@]1([H])COC(C)=O)[C@H](O)C1=CC=C(OC)C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C25H32O8/c1-6-31-21-10-8-17(12-23(21)30-5)25-19(14-32-15(2)26)18(13-33-25)24(27)16-7-9-20(28-3)22(11-16)29-4/h7-12,18-19,24-25,27H,6,13-14H2,1-5H3/t18-,19+,24+,25-/m0/s1

> <INCHI_KEY>
AYXXOFWTSSWURZ-MKTUGGFXSA-N

> <FORMULA>
C25H32O8

> <MOLECULAR_WEIGHT>
460.523

> <EXACT_MASS>
460.20971799

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
49.82788824528382

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[(2R,3S,4R)-4-[(S)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-2-(4-ethoxy-3-methoxyphenyl)oxolan-3-yl]methyl acetate

> <JCHEM_LOGP>
2.2057774519999995

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.092153986427666

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1958918463365387

> <JCHEM_POLAR_SURFACE_AREA>
92.68

> <JCHEM_REFRACTIVITY>
121.475

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4R)-4-[(S)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-2-(4-ethoxy-3-methoxyphenyl)oxolan-3-yl]methyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 21-DEC-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-DEC-23         0                                  
HETATM    1  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       6.668   2.310   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.580  -3.215   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.104  -4.680   0.000  0.00  0.00           O+0
HETATM   16  H   UNK     0      -0.038  -1.611   0.000  0.00  0.00           H+0
HETATM   17  C   UNK     0       0.088  -3.215   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.377  -2.739   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -2.521  -3.770   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -3.986  -3.294   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.130  -4.324   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -4.306  -1.788   0.000  0.00  0.00           O+0
HETATM   23  H   UNK     0      -1.001  -4.304   0.000  0.00  0.00           H+0
HETATM   24  C   UNK     0       0.564  -4.680   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.342  -5.926   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.285  -7.333   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.620  -8.578   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       0.006  -9.985   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -0.899 -11.231   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.152  -8.417   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -3.057  -9.663   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -4.589  -9.502   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -5.494 -10.748   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.778  -7.011   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.873  -5.765   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   13                                                  
CONECT    3    2    4   12                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9    3                                                       
CONECT   13    2   14   16   17                                             
CONECT   14   13   15                                                       
CONECT   15   14   24                                                       
CONECT   16   13                                                            
CONECT   17   13   18   23   24                                             
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   17                                                            
CONECT   24   17   15   25                                                  
CONECT   25   24   26   35                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27   31   34                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   30   35                                                       
CONECT   35   34   25                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₃₂O₈

Average Mass

460.5230 Da

Monoisotopic Mass

460.20972 Da

IUPAC Name

[(2R,3S,4R)-4-[(S)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-2-(4-ethoxy-3-methoxyphenyl)oxolan-3-yl]methyl acetate

Traditional Name

[(2R,3S,4R)-4-[(S)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-2-(4-ethoxy-3-methoxyphenyl)oxolan-3-yl]methyl acetate

CAS Registry Number

Not Available

SMILES

[H][C@@]1(CO[C@@H](C2=CC(OC)=C(OCC)C=C2)[C@]1([H])COC(C)=O)[C@H](O)C1=CC=C(OC)C(OC)=C1

InChI Identifier

InChI=1S/C25H32O8/c1-6-31-21-10-8-17(12-23(21)30-5)25-19(14-32-15(2)26)18(13-33-25)24(27)16-7-9-20(28-3)22(11-16)29-4/h7-12,18-19,24-25,27H,6,13-14H2,1-5H3/t18-,19+,24+,25-/m0/s1

InChI Key

AYXXOFWTSSWURZ-MKTUGGFXSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)	Not Available	Keio University	Haruhisa Kikuchi	2024-03-06	View Spectrum
1D NMR	Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)	Not Available	Keio University	Haruhisa Kikuchi	2024-03-06	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCL3, experimental)	halkiku@keio.jp	Keio University	Haruhisa Kikuchi	2024-05-14	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCL3, experimental)	halkiku@keio.jp	Keio University	Haruhisa Kikuchi	2024-05-14	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

This compound 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
Fatty alcohol ester
Phenoxy compound
Methoxybenzene
Phenol ether
Anisole
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Tetrahydrofuran
Secondary alcohol
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Aromatic alcohol
Organooxygen 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	2.21	ChemAxon
pKa (Strongest Acidic)	14.09	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	92.68 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	121.48 m³·mol⁻¹	ChemAxon
Polarizability	49.83 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

Matundura JO, Mollel JT, Miah M, Said J, Omosa LK, Kalenga TM, Woordes YT, Nchiozem-Ngnitedem VA, Orthaber A, Midiwo JO, Herrebout W, Trybala E, Bergstrom T, Ticona LA, Erdelyi M, Yenesew A: Bioactive Abietenolide Diterpenes from Suregada procera. Fitoterapia. 2024 Sep 18:106217. doi: 10.1016/j.fitote.2024.106217. [PubMed:39303767 ]
Huang XR, Jiang CN, Wang HS, Gu G, Wang M, Sui XN, Si T, Zhang ZF, Zhang P, Zhao DL: Herbicidal Sorbicillinoid Analogs Cause Lignin Accumulation in Aspergillus aculeatus TE-65L. J Agric Food Chem. 2024 Sep 25;72(38):21102-21111. doi: 10.1021/acs.jafc.4c06809. Epub 2024 Sep 13. [PubMed:39269321 ]
Fan PC, Chiou LC, Lai TH, Sharmin D, Cook J, Lee MT: The deuterated pyrazoloquinolinone targeting alpha6 subunit-containing GABA(A) receptor as novel candidate for inhibition of trigeminovascular system activation: implication for migraine therapy. Front Pharmacol. 2024 Aug 26;15:1451634. doi: 10.3389/fphar.2024.1451634. eCollection 2024. [PubMed:39253381 ]
Tang DW, Chen IC, Chou PY, Lai MJ, Liu ZY, Tsai KK, Cheng LH, Zhao JX, Cho EC, Chang HH, Lin TE, Hsu KC, Chen MC, Liou JP: HSP90/LSD1 dual inhibitors against prostate cancer as well as patient-derived colorectal organoids. Eur J Med Chem. 2024 Nov 15;278:116801. doi: 10.1016/j.ejmech.2024.116801. Epub 2024 Aug 28. [PubMed:39241481 ]
Schmidt M, Gilmer J, Virovets A, Bolte M, Lerner HW, Wagner M: Adjusting the Number of Functional Groups in Vicinal Bis(trichlorosilylated) Benzenes. Chemistry. 2024 Sep 2:e202402998. doi: 10.1002/chem.202402998. [PubMed:39222351 ]

Showing NP-Card for Compound 6 (NP0332265)

MOL for NP0332265 (Compound 6)

3D MOL for NP0332265 (Compound 6)

3D SDF for NP0332265 (Compound 6)

3D-SDF for NP0332265 (Compound 6)

PDB for NP0332265 (Compound 6)

3D PDB for NP0332265 (Compound 6)

SMILES for NP0332265 (Compound 6)

INCHI for NP0332265 (Compound 6)

Structure for NP0332265 (Compound 6)

3D Structure for NP0332265 (Compound 6)