NP-MRD: Showing NP-Card for Compound 8 (NP0332593)

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Record Information

Version

2.0

Created at

2024-03-06 08:12:38 UTC

Updated at

2024-09-03 04:19:43 UTC

NP-MRD ID

NP0332593

Natural Product DOI

https://doi.org/10.57994/1853

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Compound 8

Description

Compound 8 belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. Compound 8 was first documented in 2024 (PMID: 39247506). Based on a literature review a significant number of articles have been published on Compound 8 (PMID: 39313048) (PMID: 39277390) (PMID: 39269647) (PMID: 39262264) (PMID: 39230932) (PMID: 39229781).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03202301202D          

 38 37  0  0  0  0            999 V2000
   11.9921   13.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9921   12.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7066   12.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7066   11.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4211   11.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4211   10.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1355    9.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1355    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5645    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9934    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7079    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4224    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1368    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8513    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5658    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2802    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9947    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7092    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1381    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5671    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2815    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9960    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7105    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4249    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1394    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8539    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5684    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2828    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9973    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7118    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4262    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1407    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8552    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5697    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  4  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 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  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
 29 30  1  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
 34 33  1  4  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END


  Mrv2104 03202301202D          

 38 37  0  0  0  0            999 V2000
   11.9921   13.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9921   12.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7066   12.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7066   11.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4211   11.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4211   10.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1355    9.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1355    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5645    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9934    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7079    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4224    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1368    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8513    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5658    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2802    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9947    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7092    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1381    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5671    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2815    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9960    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7105    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4249    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1394    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8539    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5684    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2828    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9973    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7118    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4262    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1407    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8552    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5697    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  4  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 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  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
 29 30  1  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
 34 33  1  4  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0332593

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC=CCCCCCCCCCCCCCCCCCCCCCCCCCC=CCCC=CCC

> <INCHI_IDENTIFIER>
InChI=1S/C38H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7-8,10,13,15H,3-4,6,9,11-12,14,16-38H2,1-2H3

> <INCHI_KEY>
OROWGKJHCDYKMC-UHFFFAOYSA-N

> <FORMULA>
C38H72

> <MOLECULAR_WEIGHT>
528.994

> <EXACT_MASS>
528.563402318

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
110

> <JCHEM_AVERAGE_POLARIZABILITY>
77.60724350908278

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octatriaconta-3,7,34-triene

> <JCHEM_LOGP>
16.271570202666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
179.99

> <JCHEM_ROTATABLE_BOND_COUNT>
32

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
octatriaconta-3,7,34-triene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAR-23         0                                  
HETATM    1  C   UNK     0      22.385  25.244   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      22.385  23.704   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      23.719  22.934   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      23.719  21.394   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      25.053  20.624   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      25.053  19.084   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      26.386  18.314   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      26.386  16.774   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      27.720  16.004   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      29.054  16.774   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      30.387  16.004   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      31.721  16.774   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      33.055  16.004   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      34.388  16.774   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      35.722  16.004   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      37.056  16.774   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      38.389  16.004   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      39.723  16.774   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      41.057  16.004   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      42.390  16.774   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      43.724  16.004   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      45.058  16.774   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      46.392  16.004   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      47.725  16.774   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      49.059  16.004   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      50.393  16.774   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      51.726  16.004   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      53.060  16.774   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      54.394  16.004   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      55.727  16.774   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      57.061  16.004   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      58.395  16.774   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      59.728  16.004   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      61.062  16.774   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      62.396  16.004   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      63.729  16.774   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      65.063  16.004   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      66.397  16.774   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₃₄O₈

Average Mass

522.5940 Da

Monoisotopic Mass

522.22537 Da

IUPAC Name

octatriaconta-3,7,34-triene

Traditional Name

octatriaconta-3,7,34-triene

CAS Registry Number

Not Available

SMILES

[H][C@@]1(CO[C@@H](C2=CC(OC)=C(OCC3=CC=CC=C3)C=C2)[C@]1([H])COC(C)=O)[C@H](O)C1=CC=C(OC)C(OC)=C1

InChI Identifier

InChI=1S/C30H34O8/c1-19(31)36-18-24-23(29(32)21-10-12-25(33-2)27(14-21)34-3)17-38-30(24)22-11-13-26(28(15-22)35-4)37-16-20-8-6-5-7-9-20/h5-15,23-24,29-30,32H,16-18H2,1-4H3/t23-,24+,29+,30-/m0/s1

InChI Key

GJRLOJNVRCJJQW-JPBZRQQJSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C 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)	Not Available	Keio University	Haruhisa Kikuchi	2024-03-06	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 unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.

Kingdom

Organic compounds

Super Class

Hydrocarbons

Class

Unsaturated hydrocarbons

Sub Class

Unsaturated aliphatic hydrocarbons

Direct Parent

Unsaturated aliphatic hydrocarbons

Alternative Parents

Olefins

Substituents

Unsaturated aliphatic hydrocarbon
Olefin
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	16.27	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	32	ChemAxon
Refractivity	179.99 m³·mol⁻¹	ChemAxon
Polarizability	77.61 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	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

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

Abd El-Lateef HM, Ezelarab HAA, Ali AM, Alsaggaf AT, Mahdi WA, Alshehri S, El Hamd MA, Aboelez MO: Design and evaluation of sulfadiazine derivatives as potent dual inhibitors of EGFR(WT) and EGFR(T790M): integrating biological, molecular docking, and ADMET analysis. RSC Adv. 2024 Sep 6;14(39):28608-28625. doi: 10.1039/d4ra04165h. eCollection 2024 Sep 4. [PubMed:39247506 ]
Srikanth D, Shanthi K, Paoletti N, Joshi SV, Shaik MG, Rana P, Vadakattu M, Yaddanapudi VM, Supuran CT, Nanduri S: Exploration of 1,3,5-trisubstituted pyrazoline derivatives as human carbonic anhydrase inhibitors: Synthesis, biological evaluation and in silico studies. Int J Biol Macromol. 2024 Sep 21;280(Pt 3):135890. doi: 10.1016/j.ijbiomac.2024.135890. [PubMed:39313048 ]
Wang M, Dong L, Wang Y, Suo F, Zhang L, Dong J, Ma S: Validation of shikimate dehydrogenase as the herbicidal target of drupacine and screening of target-based compounds with high herbicidal activity. Pestic Biochem Physiol. 2024 Sep;204:106077. doi: 10.1016/j.pestbp.2024.106077. Epub 2024 Aug 5. [PubMed:39277390 ]
Danilov R, Smirnova IE, Galimova ZI, Sokolova EV, Lukyanov AV, Kalitin KY, Mukha OY, Babkov D, Kazakova OB, Spasov AA: A Novel Dipterocarpol Derivative that Targets Alpha-Glucosidase and NLRP3 Inflammasome Activity for Treatment of Diabetes Mellitus. Chem Biodivers. 2024 Sep 13:e202401626. doi: 10.1002/cbdv.202401626. [PubMed:39269647 ]
Banerjee S, Mukherjee S, Mohsin Kazi, Sen KK, Das A, Hasan R, Wu YS, Eftekhari A, Das SK, Nur-E-Alam M, Sarker MMR, Nur Azlina MF: Anti- COVID-19 drug discovery by flavonoid derivatives: an extensive computational drug design approach. Cell Mol Biol (Noisy-le-grand). 2024 Sep 8;70(8):39-49. doi: 10.14715/cmb/2024.70.8.5. [PubMed:39262264 ]
Wei J, Shi Q, Li B, Yang H, Liu L, Zhou R, Feng Z, Yang Z, Zhan J, Xiong XF, Huang X, Wang Y: Discovery of a Highly Potent and Selective Inhibitor Targeting Protein Lysine Methyltransferase NSD2. J Med Chem. 2024 Sep 26;67(18):16056-16071. doi: 10.1021/acs.jmedchem.4c00639. Epub 2024 Sep 4. [PubMed:39230932 ]
Aghaei Khouzani M, Noaparast Z, Asadi T, Saeidi S, Heidarnia A, Hamzeh Moghadam B, Mosavi Kia H, Hashemi SM, Mahdavi M: Synthesis, cytotoxicity and (99m)Tc-MIBI tumor cell uptake evaluation of 2-phenylbenzothiazole tagged triazole derivatives. Future Med Chem. 2024;16(19):1999-2012. doi: 10.1080/17568919.2024.2389771. Epub 2024 Sep 4. [PubMed:39229781 ]
Zhang J, Li S, Zheng Y, Gao L, Wei H, Li Y, Liu Y, Zheng Y, Gong J: Novel pyridazinone derivatives bind to KSRP: Synthesis, anti-tumor biological evaluations and modelling insights. Eur J Med Chem. 2024 Nov 15;278:116811. doi: 10.1016/j.ejmech.2024.116811. Epub 2024 Aug 30. [PubMed:39217859 ]
Nakane K, Morisseau C, Dowker-Key PD, Benitez G, Aguilan JT, Nagai E, Sidoli S, Hammock BD, Bettaieb A, Shinoda K, Kitamura S: In vivo -Active Soluble Epoxide Hydrolase-targeting PROTACs with Improved Potency and Stability. bioRxiv [Preprint]. 2024 Jul 24:2024.07.23.604814. doi: 10.1101/2024.07.23.604814. [PubMed:39211216 ]
Vieira TM, Barco JG, de Souza SL, Santos ALO, Daoud I, Rahali S, Amdouni N, Bastos JK, Martins CHG, Ben Said R, Crotti AEM: In Vitro and In Silico Studies of the Antimicrobial Activity of Prenylated Phenylpropanoids of Green Propolis and Their Derivatives against Oral Bacteria. Antibiotics (Basel). 2024 Aug 22;13(8):787. doi: 10.3390/antibiotics13080787. [PubMed:39200088 ]
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Showing NP-Card for Compound 8 (NP0332593)

MOL for NP0332593 (Compound 8)

3D MOL for NP0332593 (Compound 8)

3D SDF for NP0332593 (Compound 8)

3D-SDF for NP0332593 (Compound 8)

PDB for NP0332593 (Compound 8)

3D PDB for NP0332593 (Compound 8)

SMILES for NP0332593 (Compound 8)

INCHI for NP0332593 (Compound 8)

Structure for NP0332593 (Compound 8)

3D Structure for NP0332593 (Compound 8)