NP-MRD: Showing NP-Card for Anwulignan (NP0137461)

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Record Information

Version

2.0

Created at

2022-05-30 16:53:08 UTC

Updated at

2022-05-30 16:53:08 UTC

NP-MRD ID

NP0137461

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Anwulignan

Description

Macelignan, also known as anwulignan or calophyn, belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety. Macelignan may also act as an antidiabetic molecule via PPAR signaling. Macelignan is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Macelignan has been detected, but not quantified in, herbs and spices. This could make macelignan a potential biomarker for the consumption of these foods. It can be found in Myristica fragrans, the nutmeg. One study has shown that macelignan may exert antimicrobial and anticariogenic activity against Streptococcus mutans, but this is not a currently used treatment. Anwulignan is found in Iryanthera lancifolia, Leucas aspera, Machilus thunbergii, Magnolia ovata, Myristica fragrans, Saururus chinensis, Schisandra chinensis and Schisandra rubriflora. Anwulignan was first documented in 2008 (PMID: 18239286). Macelignan (Anwulignan) is a lignan (PMID: 19483320).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 48 50  0  0  0  0  0  0  0  0999 V2000
   -5.6360   -0.2963   -2.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9925   -0.1669   -0.7230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9987   -0.1920    0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6743   -0.3407   -0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6454   -0.3720    0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2189   -0.5327    0.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5638    0.8043    0.1889 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2287    1.5820   -0.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9010    0.6723   -0.1504 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0978   -0.1544   -1.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7196    0.1280    0.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1232    0.0344    0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9721    1.0955    0.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3126    1.0213    0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7691   -0.1368   -0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9178   -1.2255   -0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5856   -1.1139   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6501   -2.2219   -0.9976 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321   -1.9254   -0.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0105   -0.5281   -0.6970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9313   -0.2497    2.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2544   -0.1007    2.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2739   -0.0709    1.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6123    0.0796    1.9486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8622    0.4351   -2.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5459   -0.0815   -2.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3298   -1.3274   -2.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4487   -0.4367   -1.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240   -1.1243   -0.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6758   -1.1507    1.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6236    1.3658    1.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5573    2.3276   -1.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1225    2.1453   -0.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4914    0.8402   -1.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2634    1.6933   -0.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1174   -0.0217   -1.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9496   -1.2294   -1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4005    0.1936   -2.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -0.9074    1.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5884    0.7370    1.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6568    2.0229    1.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9912    1.8377    0.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9835   -1.9992   -0.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5544   -2.0819   -1.8842 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5077   -2.4598   -0.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1332   -0.2725    2.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4814   -0.0053    3.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9342    0.1758    2.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 23  2  0
 23 24  1  0
 23 22  1  0
 22 21  2  0
 21  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 17  2  0
 17 16  1  0
 16 15  2  0
 15 20  1  0
 20 19  1  0
 19 18  1  0
 15 14  1  0
 14 13  2  0
  5  4  2  0
  4  3  1  0
 13 12  1  0
 18 16  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
 24 48  1  0
 22 47  1  0
 21 46  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  1
  8 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  6
 10 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  0
 11 40  1  0
 17 43  1  0
 19 44  1  0
 19 45  1  0
 14 42  1  0
 13 41  1  0
  4 28  1  0
M  END


  Mrv0541 05061309092D          

 24 26  0  0  0  0            999 V2000
   -2.1434    2.0625    0.0000 C   0  0  0  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
   -6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    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
   -0.7145    1.2375    0.0000 C   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
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6985    0.4125    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
   -1.4289    0.8250    0.0000 C   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
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.0625    0.0000 C   0  0  0  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
   -5.0013    1.2375    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
   -5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    1.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
 13  1  1  0  0  0  0
 13  8  1  0  0  0  0
 14  2  1  0  0  0  0
 14  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 15  8  1  0  0  0  0
 15 10  2  0  0  0  0
 16  5  1  0  0  0  0
 16  9  1  0  0  0  0
 16 11  2  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19 10  1  0  0  0  0
 19 17  2  0  0  0  0
 20 11  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22  3  1  0  0  0  0
 22 19  1  0  0  0  0
 23 12  1  0  0  0  0
 23 18  1  0  0  0  0
 24 12  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0137461

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C=CC(CC(C)C(C)CC2=CC3=C(OCO3)C=C2)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3

> <INCHI_KEY>
QDDILOVMGWUNGD-UHFFFAOYSA-N

> <FORMULA>
C20H24O4

> <MOLECULAR_WEIGHT>
328.4022

> <EXACT_MASS>
328.167459256

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
36.12366002944521

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-[3-(2H-1,3-benzodioxol-5-ylmethyl)-2-methylbutyl]-2-methoxyphenol

> <ALOGPS_LOGP>
4.86

> <JCHEM_LOGP>
5.134780911

> <ALOGPS_LOGS>
-5.06

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.275429206619169

> <JCHEM_PKA_STRONGEST_BASIC>
-4.506185107463003

> <JCHEM_POLAR_SURFACE_AREA>
47.92

> <JCHEM_REFRACTIVITY>
92.90639999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.85e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
macelignan

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -12.003   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -8.002   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.037   0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -9.336   3.850   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -9.336   2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0     -10.669   4.620   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0     -10.669   1.540   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       4.132  -0.476   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       4.132   2.016   0.000  0.00  0.00           O+0
CONECT    1   13                                                            
CONECT    2   14                                                            
CONECT    3   22                                                            
CONECT    4    6   15                                                       
CONECT    5    7   16                                                       
CONECT    6    4   17                                                       
CONECT    7    5   18                                                       
CONECT    8   13   15                                                       
CONECT    9   14   16                                                       
CONECT   10   15   19                                                       
CONECT   11   16   20                                                       
CONECT   12   23   24                                                       
CONECT   13    1    8   14                                                  
CONECT   14    2    9   13                                                  
CONECT   15    4    8   10                                                  
CONECT   16    5    9   11                                                  
CONECT   17    6   19   21                                                  
CONECT   18    7   20   23                                                  
CONECT   19   10   17   22                                                  
CONECT   20   11   18   24                                                  
CONECT   21   17                                                            
CONECT   22    3   19                                                       
CONECT   23   12   18                                                       
CONECT   24   12   20                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Value	Source
Anwulignan	HMDB
Calophyn	HMDB

Chemical Formula

C₂₀H₂₄O₄

Average Mass

328.4022 Da

Monoisotopic Mass

328.16746 Da

IUPAC Name

4-[3-(2H-1,3-benzodioxol-5-ylmethyl)-2-methylbutyl]-2-methoxyphenol

Traditional Name

macelignan

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=CC(CC(C)C(C)CC2=CC3=C(OCO3)C=C2)=C1

InChI Identifier

InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3

InChI Key

QDDILOVMGWUNGD-UHFFFAOYSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Iryanthera lancifolia	LOTUS Database	35616633
Leucas aspera	LOTUS Database	35616633
Machilus thunbergii	LOTUS Database	35616633
Magnolia ovata	LOTUS Database	35616633
Myristica fragrans	LOTUS Database	35616633
Saururus chinensis	LOTUS Database	35616633
Schisandra chinensis	LOTUS Database	35616633
Schisandra rubriflora	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Dibenzylbutane lignans

Sub Class

Not Available

Direct Parent

Dibenzylbutane lignans

Alternative Parents

Substituents

Dibenzylbutane lignan skeleton
Methoxyphenol
Benzodioxole
Phenylpropane
Anisole
Phenoxy compound
Phenol ether
Methoxybenzene
Phenol
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Acetal
Ether
Organoheterocyclic compound
Oxacycle
Hydrocarbon derivative
Organooxygen compound
Organic oxygen compound
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	4.86	ALOGPS
logP	5.13	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	10.28	ChemAxon
pKa (Strongest Basic)	-4.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	47.92 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	92.91 m³·mol⁻¹	ChemAxon
Polarizability	36.12 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0036459

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB015348

KNApSAcK ID

C00031992

Chemspider ID

22370206

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Macelignan

METLIN ID

Not Available

PubChem Compound

13844304

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Sohn JH, Han KL, Kim JH, Rukayadi Y, Hwang JK: Protective Effects of macelignan on cisplatin-induced hepatotoxicity is associated with JNK activation. Biol Pharm Bull. 2008 Feb;31(2):273-7. doi: 10.1248/bpb.31.273. [PubMed:18239286 ]
Ma J, Hwang YK, Cho WH, Han SH, Hwang JK, Han JS: Macelignan attenuates activations of mitogen-activated protein kinases and nuclear factor kappa B induced by lipopolysaccharide in microglial cells. Biol Pharm Bull. 2009 Jun;32(6):1085-90. doi: 10.1248/bpb.32.1085. [PubMed:19483320 ]

Showing NP-Card for Anwulignan (NP0137461)

MOL for NP0137461 (Anwulignan)

3D MOL for NP0137461 (Anwulignan)

3D SDF for NP0137461 (Anwulignan)

3D-SDF for NP0137461 (Anwulignan)

PDB for NP0137461 (Anwulignan)

3D PDB for NP0137461 (Anwulignan)

SMILES for NP0137461 (Anwulignan)

INCHI for NP0137461 (Anwulignan)

Structure for NP0137461 (Anwulignan)

3D Structure for NP0137461 (Anwulignan)