NP-MRD: Showing NP-Card for Compound 1 (NP0332270)

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Record Information

Version

2.0

Created at

2023-12-21 12:01:37 UTC

Updated at

2024-09-03 04:18:39 UTC

NP-MRD ID

NP0332270

Natural Product DOI

https://doi.org/10.57994/1465

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Compound 1

Description

Compound 1 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 1 was first documented in 2024 (PMID: 39307743). Based on a literature review a significant number of articles have been published on Compound 1 (PMID: 39302043) (PMID: 39307807) (PMID: 39311017) (PMID: 39307783) (PMID: 39307782) (PMID: 39297730).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 12212312012D          

 34 36  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
   -1.3022   -5.9305    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
 30 33  1  0  0  0  0
 33 34  2  0  0  0  0
 25 34  1  0  0  0  0
M  END


  Mrv2104 12212312012D          

 34 36  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
   -1.3022   -5.9305    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
 30 33  1  0  0  0  0
 33 34  2  0  0  0  0
 25 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0332270

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C24H30O8/c1-14(25)31-13-18-17(23(26)15-6-8-19(27-2)21(10-15)29-4)12-32-24(18)16-7-9-20(28-3)22(11-16)30-5/h6-11,17-18,23-24,26H,12-13H2,1-5H3/t17-,18+,23+,24-/m0/s1

> <INCHI_KEY>
NKLSPZQYPWFUIO-QWAURFOWSA-N

> <FORMULA>
C24H30O8

> <MOLECULAR_WEIGHT>
446.496

> <EXACT_MASS>
446.194067926

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
47.598958668428864

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <JCHEM_LOGP>
1.8489694973333333

> <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>
116.72639999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4R)-2-(3,4-dimethoxyphenyl)-4-[(S)-(3,4-dimethoxyphenyl)(hydroxy)methyl]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      -2.431 -11.070   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -2.778  -7.011   0.000  0.00  0.00           C+0
HETATM   34  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   34                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30   34                                                       
CONECT   34   33   25                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₃₀O₈

Average Mass

446.4960 Da

Monoisotopic Mass

446.19407 Da

IUPAC Name

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

Traditional Name

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

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C24H30O8/c1-14(25)31-13-18-17(23(26)15-6-8-19(27-2)21(10-15)29-4)12-32-24(18)16-7-9-20(28-3)22(11-16)30-5/h6-11,17-18,23-24,26H,12-13H2,1-5H3/t17-,18+,23+,24-/m0/s1

InChI Key

NKLSPZQYPWFUIO-QWAURFOWSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D_DEPT NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	Not Available	Keio University	Haruhisa Kikuchi	2024-04-30	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	Not Available	Keio University	Haruhisa Kikuchi	2024-03-06	View Spectrum
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
HMQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	Not Available	Keio University	Haruhisa Kikuchi	2024-03-06	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	halkiku@keio.jp	Keio University	Haruhisa Kikuchi	2024-05-14	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	halkiku@keio.jp	Keio University	Haruhisa Kikuchi	2024-05-14	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	halkiku@keio.jp	Keio University	Haruhisa Kikuchi	2024-05-14	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	halkiku@keio.jp	Keio University	Haruhisa Kikuchi	2024-05-14	View Spectrum
HMQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	halkiku@keio.jp	Keio University	Haruhisa Kikuchi	2024-05-14	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Peperomia pseudopereskiifolia		Not Available
Peperomia pseudopereskiifolia		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	1.85	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	10	ChemAxon
Refractivity	116.73 m³·mol⁻¹	ChemAxon
Polarizability	47.6 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

Wu JJ, Peng ZC, He J, Ding K, Xu JK, Zhang WK: [A new secoiridoid from Cornus officinalis]. Zhongguo Zhong Yao Za Zhi. 2024 Aug;49(15):4111-4117. doi: 10.19540/j.cnki.cjcmm.20240507.201. [PubMed:39307743 ]
Yang JF, Ma YY, Xie N, Tang YT, Du J, Yin XR, Lin ZG, Han ZG: In Situ Ligand-Transformation-Assisted Assembly of a Polyoxometalate and Silver-Phosphine Oxide Cluster for Colorimetric Detection of Phenol Contaminants. Inorg Chem. 2024 Sep 20. doi: 10.1021/acs.inorgchem.4c03067. [PubMed:39302043 ]
Long CY, Li QJ, Zhou L, Hu ZX, Yang J: [Chemical constituents of Viburnum utile and their inhibitory activities against alpha-glucosidase]. Zhongguo Zhong Yao Za Zhi. 2024 Sep;49(17):4695-4701. doi: 10.19540/j.cnki.cjcmm.20240607.201. [PubMed:39307807 ]
Shi X, Zhao Y, Zhou Y, Li Z, Tang Y, Fu H, Liu Y, Zhang ZG, Pu M, Lei M: The GaCl(3)-Catalyzed Knoevenagel Condensation To Achieve Acceptor-Donor-Acceptor Small-Molecule Acceptors: A DFT Mechanistic Study. J Org Chem. 2024 Sep 23. doi: 10.1021/acs.joc.4c01806. [PubMed:39311017 ]
Yang CY, Chen KL, Liu Y, Yi C, Jia XB, Liu YB: [Secondary metabolites of endophytic fungus Talaromyces malicola hosted in Armadillidium vulgare]. Zhongguo Zhong Yao Za Zhi. 2024 Aug;49(16):4470-4476. doi: 10.19540/j.cnki.cjcmm.20240520.201. [PubMed:39307783 ]
Wang JP, Guo J, Wang WW, Yang CX, Yan LH, Wang ZM: [A new neolignan glycoside from Acori Tatarinowii Rhizoma]. Zhongguo Zhong Yao Za Zhi. 2024 Aug;49(16):4460-4469. doi: 10.19540/j.cnki.cjcmm.20240511.201. [PubMed:39307782 ]
Sum WC, Ebada SS, Kellner H, Stadler M: p-Terphenyl and Orsellinic Acid Derivatives from the European Polyporales Terana coerulea and Sparassis brevipes. Chem Biodivers. 2024 Sep 19:e202401597. doi: 10.1002/cbdv.202401597. [PubMed:39297730 ]
Hara M, Toriumi N, Uchiyama M, Nozaki K: Synthesis, Structure, and Optical Property of [6]Cyclo-1,2-naphthylene. Chemistry. 2024 Sep 21:e202402323. doi: 10.1002/chem.202402323. [PubMed:39305152 ]
Driess M, Yao S, Budde MS, Xiong Y, Yang X, Zhao L: Disilicon-Mediated Carbon Monoxide Activation: From a 1,2,3-Trisila- to 1,3-Disilacyclopentadienes with Hypercoordinate lambda4Si-lambda3C Double Bonds. Angew Chem Int Ed Engl. 2024 Sep 21:e202414696. doi: 10.1002/anie.202414696. [PubMed:39305142 ]
Njue AW, Omolo J, Ramos RS, Santos CBR, Kimani NM: Ergostanes from the mushroom Trametes versicolor and their cancer cell inhibition: In vitro and in silico evaluation. Steroids. 2024 Sep 19;212:109511. doi: 10.1016/j.steroids.2024.109511. [PubMed:39303896 ]
Castillo UG, Uekusa Y, Nishimura T, Kiuchi F, Martinez ML, Menjivar J, Nakajima-Shimada J, Nunez MJ, Kikuchi H: Anti-trypanosomal Lignans Isolated from Salvadoran Peperomia pseudopereskiifolia. J Nat Prod. 2024 Apr 26;87(4):1067-1074. doi: 10.1021/acs.jnatprod.4c00022. Epub 2024 Apr 17. [PubMed:38631020 ]
DOI: 10.1021/acs.jnatprod.4c00022
PMID: 38631020

Showing NP-Card for Compound 1 (NP0332270)

MOL for NP0332270 (Compound 1)

3D MOL for NP0332270 (Compound 1)

3D SDF for NP0332270 (Compound 1)

3D-SDF for NP0332270 (Compound 1)

PDB for NP0332270 (Compound 1)

3D PDB for NP0332270 (Compound 1)

SMILES for NP0332270 (Compound 1)

INCHI for NP0332270 (Compound 1)

Structure for NP0332270 (Compound 1)

3D Structure for NP0332270 (Compound 1)