NP-MRD: Showing NP-Card for Thielavin Q (NP0333418)

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Record Information

Version

2.0

Created at

2024-06-18 01:46:24 UTC

Updated at

2024-09-03 04:22:23 UTC

NP-MRD ID

NP0333418

Natural Product DOI

https://doi.org/10.57994/2840

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Thielavin Q

Description

3-Hydroxy-2,5-dimethylphenyl 4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-hydroxy-3,6-dimethylbenzoate) belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). It was first documented in 2024 (PMID: 38885554). Based on a literature review a significant number of articles have been published on 3-hydroxy-2,5-dimethylphenyl 4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-hydroxy-3,6-dimethylbenzoate) (PMID: 38885553) (PMID: 38885552) (PMID: 38885551) (PMID: 38885550) (PMID: 38885549) (PMID: 38885548).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03022304212D          

 34 36  0  0  0  0            999 V2000
    1.4289   -1.6500    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   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
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -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
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   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
    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
   -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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    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   -1.6500    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
   -2.1434   -0.4125    0.0000 O   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
   -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 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 18  2  0  0  0  0
  5 19  2  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
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 23 34  2  0  0  0  0
M  END


  Mrv2104 03022304212D          

 34 36  0  0  0  0            999 V2000
    1.4289   -1.6500    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   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
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -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
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   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
    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
   -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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    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   -1.6500    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
   -2.1434   -0.4125    0.0000 O   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
   -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 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 18  2  0  0  0  0
  5 19  2  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
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 23 34  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0333418

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC(O)=C(C)C(OC(=O)C2=C(C)C=C(OC(=O)C3=C(O)C(C)=C(O)C=C3C)C(C)=C2O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C26H26O8/c1-11-7-17(27)14(4)19(8-11)33-26(32)22-13(3)10-20(16(6)24(22)30)34-25(31)21-12(2)9-18(28)15(5)23(21)29/h7-10,27-30H,1-6H3

> <INCHI_KEY>
APRHPGUXVPVVOV-UHFFFAOYSA-N

> <FORMULA>
C26H26O8

> <MOLECULAR_WEIGHT>
466.486

> <EXACT_MASS>
466.162767797

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
48.930024526099466

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-hydroxy-2,5-dimethylphenyl 4-(2,4-dihydroxy-3,6-dimethylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoate

> <JCHEM_LOGP>
8.462383690666668

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.446570889434584

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.867046865761582

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9843993329065337

> <JCHEM_POLAR_SURFACE_AREA>
133.52

> <JCHEM_REFRACTIVITY>
127.83459999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-hydroxy-2,5-dimethylphenyl 4-(2,4-dihydroxy-3,6-dimethylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-MAR-23         0                                  
HETATM    1  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.335  -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       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       9.336 -10.010   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      10.669 -12.320   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.001 -10.010   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   22                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   19                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   18                                                  
CONECT    8    7    9   16                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15    8   17                                                  
CONECT   17   16                                                            
CONECT   18    7                                                            
CONECT   19    5   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20    2   23                                                  
CONECT   23   22   24   34                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   32                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   25   33                                                  
CONECT   33   32                                                            
CONECT   34   23                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

View in JSmol

Synonyms

Value	Source
3-Hydroxy-2,5-dimethylphenyl 4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-hydroxy-3,6-dimethylbenzoic acid)	Generator

Chemical Formula

C₂₆H₂₆O₈

Average Mass

466.4860 Da

Monoisotopic Mass

466.16277 Da

IUPAC Name

3-hydroxy-2,5-dimethylphenyl 4-(2,4-dihydroxy-3,6-dimethylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoate

Traditional Name

3-hydroxy-2,5-dimethylphenyl 4-(2,4-dihydroxy-3,6-dimethylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoate

CAS Registry Number

Not Available

SMILES

CC1=CC(O)=C(C)C(OC(=O)C2=C(C)C=C(OC(=O)C3=C(O)C(C)=C(O)C=C3C)C(C)=C2O)=C1

InChI Identifier

InChI=1S/C26H26O8/c1-11-7-17(27)14(4)19(8-11)33-26(32)22-13(3)10-20(16(6)24(22)30)34-25(31)21-12(2)9-18(28)15(5)23(21)29/h7-10,27-30H,1-6H3

InChI Key

APRHPGUXVPVVOV-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 400, CD₃OD, simulated)	livia.soman@unifesp.br	Unifesp - Universidade Federal de São Paulo	Lívia Soman	2024-06-18	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
sp.		Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Depsides and depsidones

Sub Class

Not Available

Direct Parent

Depsides and depsidones

Alternative Parents

Substituents

Depside backbone
P-hydroxybenzoic acid ester
O-hydroxybenzoic acid ester
Dihydroxybenzoic acid
Benzoate ester
Phenol ester
Salicylic acid or derivatives
Benzoic acid or derivatives
Xylenol
P-xylenol
P-xylene
Phenoxy compound
Benzoyl
M-cresol
O-cresol
Resorcinol
Xylene
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Benzenoid
Vinylogous acid
Carboxylic acid ester
Carboxylic acid derivative
Organic oxygen compound
Organooxygen compound
Organic oxide
Hydrocarbon derivative
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	8.46	ChemAxon
pKa (Strongest Acidic)	8.87	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	133.52 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	127.83 m³·mol⁻¹	ChemAxon
Polarizability	48.93 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	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

155884632

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Khan M: Commentary on "Impact of tumor subsite on survival outcomes in oral squamous cell carcinoma: A retrospective cohort study from 2000 to 2019". Oral Oncol. 2024 Jun 16;155:106905. doi: 10.1016/j.oraloncology.2024.106905. [PubMed:38885554 ]
Tariq SS, Zia K, Nur-E-Alam M, Nerukh D, Farafonov VS, Ul-Haq Z: Impact of mutations in SARS-CoV-2 recombinant sub-variant XBB.1.16 on the binding affinity with human ACE2 receptor. J Mol Graph Model. 2024 Jun 13;131:108813. doi: 10.1016/j.jmgm.2024.108813. [PubMed:38885553 ]
Foulkes D, Kittner A, Korban C, Anderson K, DeJonge PM, Faherty EAG, Kerins JL, Poretsky R, Pierce M, Atwater R, Tabidze I, Pacilli M: Using wastewater surveillance for mpox as a complement to traditional case-based reporting - Chicago, March-June 2023. Environ Int. 2024 May 21;190:108749. doi: 10.1016/j.envint.2024.108749. [PubMed:38885552 ]
Bresson SE, Ruzzin J: Persistent organic pollutants disrupt the oxidant/antioxidant balance of INS-1E pancreatic beta-cells causing their physiological dysfunctions. Environ Int. 2024 Jun 14;190:108821. doi: 10.1016/j.envint.2024.108821. [PubMed:38885551 ]
Wang F, Ma J, Yang L, Hu P, Tang S, Wang J, Li Z: Discovery of novel CXCR4 inhibitors for the treatment of inflammation by virtual screening and biological evaluation. Eur J Med Chem. 2024 Jun 15;275:116605. doi: 10.1016/j.ejmech.2024.116605. [PubMed:38885550 ]
Immaru M, Ueno Y, Hinago K, Hamada K, Ogawa T: Vaginitis with purulent vaginal discharge caused by artificial insemination using frozen Histophilus somni-contaminated semen. Vet Microbiol. 2024 Jun 6;295:110147. doi: 10.1016/j.vetmic.2024.110147. [PubMed:38885549 ]
Rivero-Barbarroja G, Carmen Padilla-Perez M, Maisonneuve S, Isabel Garcia-Moreno M, Tiet B, Vocadlo DJ, Xie J, Garcia Fernandez JM, Ortiz Mellet C: sp(2)-Iminosugar azobenzene O-glycosides: Light-sensitive glycosidase inhibitors with unprecedented tunability and switching factors. Bioorg Chem. 2024 Jun 12;150:107555. doi: 10.1016/j.bioorg.2024.107555. [PubMed:38885548 ]
Rouzi K, Altay A, Bouatia M, Yeniceri E, Islam MS, Oulmidi A, El Karbane M, Karrouchi K: Novel isoniazid-hydrazone derivatives induce cell growth inhibition, cell cycle arrest and apoptosis via mitochondria-dependent caspase activation and PI3K/AKT inhibition. Bioorg Chem. 2024 Jun 13;150:107563. doi: 10.1016/j.bioorg.2024.107563. [PubMed:38885547 ]
Ries M, Kelava I, Ajduk J, Kosec A, Zaja R, Trotic R: Correlation between neural response telemetry measurements and fitting levels. Int J Pediatr Otorhinolaryngol. 2024 Jun 5;182:112001. doi: 10.1016/j.ijporl.2024.112001. [PubMed:38885546 ]
Maltezeanu A, Aldriweesh B, Chan CY, Fayoux P, Bernier PL, Daniela da Silva S, Daniel SJ: Slide tracheoplasty for congenital tracheal stenosis: A systematic review. Int J Pediatr Otorhinolaryngol. 2024 May 27;182:111993. doi: 10.1016/j.ijporl.2024.111993. [PubMed:38885545 ]
Ryan L, Doody O: The treatment, outcomes and management of hand, wrist, finger, and thumb injuries in the professional/amateur contact sport athletes: A scoping review. Int J Orthop Trauma Nurs. 2024 May 31;54:101108. doi: 10.1016/j.ijotn.2024.101108. [PubMed:38885544 ]
Jalali A, Smith S, Kim G, Wong H, Lee M, Yeung J, Loft M, Wong R, Shapiro JD, Kosmider S, Tie J, Ananda S, Ma B, Burge M, Jennens R, Lee B, Johns J, Lim L, Dean A, Nott L, Gibbs P: Early onset metastatic colorectal cancer in Australia. Cancer Treat Res Commun. 2024 Jun 12;40:100827. doi: 10.1016/j.ctarc.2024.100827. [PubMed:38885543 ]
Furlan JC, Hitzig SL, Milligan J, Athanasopoulos P, Boulos MI: Screening and risk assessment for sleep-related breathing disorders in individuals living with spinal cord injury. Sleep Med. 2024 Jun 12;121:1-7. doi: 10.1016/j.sleep.2024.06.011. [PubMed:38885542 ]
Reid K, Beswick E, Tam J, Symonds A, Lyle D, Newton J, Perry D, Neale J, Chandran S, Pal S: Perceptions of digital technology use for monitoring health in people living with neurological disorders. J Neurol Sci. 2024 Jul 15;462:123072. doi: 10.1016/j.jns.2024.123072. Epub 2024 Jun 6. [PubMed:38885541 ]
Papa F, Grinda T, Rassy E, Cheickh-Hussin R, Ribeiro J, Antonuzzo L, Pistilli B: Long road towards effective HER3 targeting in breast cancer. Cancer Treat Rev. 2024 Jun 13;129:102786. doi: 10.1016/j.ctrv.2024.102786. [PubMed:38885540 ]
Qiao H, Yu Y, Xu X, Hao R, Zheng Z, Wen B, Huang H, Hu J: Repairable body-centered cubic Fe(0) anchoring on porous hollow nitrogen-doped carbon spheres with adjusting electron distribution for efficient electrocatalytic ammonia synthesis. J Colloid Interface Sci. 2024 Nov;673:537-549. doi: 10.1016/j.jcis.2024.06.109. Epub 2024 Jun 14. [PubMed:38885539 ]
Shi H, Shi Q, Gu X, Wang B, Lumbers B, Li G: Integrating the 2D/2D heterostructure of the MXene monolayer and BiOBr nano-sheets for superior photo-catalysis. J Colloid Interface Sci. 2024 Nov;673:527-536. doi: 10.1016/j.jcis.2024.06.064. Epub 2024 Jun 7. [PubMed:38885538 ]
Ji N, Li H, Zhang Y, Li Y, Wang P, Chen X, Liu YN, Wang JQ, Yang Y, Chen ZS, Li Y, Wang R, Kong D: Lansoprazole (LPZ) reverses multidrug resistance (MDR) in cancer through impeding ATP-binding cassette (ABC) transporter-mediated chemotherapeutic drug efflux and lysosomal sequestration. Drug Resist Updat. 2024 Jun 4;76:101100. doi: 10.1016/j.drup.2024.101100. [PubMed:38885537 ]
Dong Z, Liu X, Zhou S, Zhu Y, Chen J, Liu Y, Ren X, Lu YQ, Xiao R, Wang G: Microsphere lens array embedded microfluidic chip for SERS detection with simultaneous enhancement of sensitivity and stability. Biosens Bioelectron. 2024 Oct 1;261:116505. doi: 10.1016/j.bios.2024.116505. Epub 2024 Jun 15. [PubMed:38885536 ]
Halstead NV, Rosoklija I, Chu DI, Johnson EK, Cheng EY: Pediatric Urologists' Views on the US News & World Report. J Urol. 2024 Jun 17:101097JU0000000000004105. doi: 10.1097/JU.0000000000004105. [PubMed:38885535 ]

Showing NP-Card for Thielavin Q (NP0333418)

MOL for NP0333418 (Thielavin Q)

3D MOL for NP0333418 (Thielavin Q)

3D SDF for NP0333418 (Thielavin Q)

3D-SDF for NP0333418 (Thielavin Q)

PDB for NP0333418 (Thielavin Q)

3D PDB for NP0333418 (Thielavin Q)

SMILES for NP0333418 (Thielavin Q)

INCHI for NP0333418 (Thielavin Q)

Structure for NP0333418 (Thielavin Q)

3D Structure for NP0333418 (Thielavin Q)