NP-MRD: Showing NP-Card for Cannabisin M (NP0045221)

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Record Information

Version

2.0

Created at

2022-03-10 19:00:02 UTC

Updated at

2022-03-10 22:19:31 UTC

NP-MRD ID

NP0045221

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Cannabisin M

Description

Cannabisin M is a lignanamide. It belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9‚Äö√†√∂‚àö√°¬¨¬®¬¨‚Ä¢ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed. Cannabisin M has been isolated from the seeds of cannabis plants (PMID: 28799497 ). It is a neutral, hydrophobic molecule that is largely insoluble in water (PMID: 26585089 ). Cannabisins and other lignanamides exhibit interesting and diverse biological activities, including feeding deterrent activity and insecticidal effects (that protect the plant) as well as anti-inflammatory, anti-oxidant and anti-acetylcholinesterase activity, which may have beneficial health effects (PMID: 26585089 ). Cannibasins have been found to suppress the production and lower the levels of mRNA of pro-inflammatory mediators such as interleukin 6 (IL-6) and tumor necrosis factor alpha (TNF-alpha) in a concentration-dependent manner in LPS-stimulated BV2 microglia cells (PMID: 30691004 ).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652303192001563D          

 44 48  0  0  0  0            999 V2000
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   11.4100   -0.8946    1.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 42 13  1  0  0  0  0
 20 15  1  0  0  0  0
 32 26  1  0  0  0  0
 40 33  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652303192001563D          

 44 48  0  0  0  0            999 V2000
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   13.3426   -1.4264    0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3480   -0.6732    0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8393   -0.6877    0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5622   -0.0023    0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3852   -2.3883   -1.2423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9363   -1.5575    0.2316 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8557   -2.5603   -0.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1759   -2.6369    0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0459   -1.4697    0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9132   -1.3276   -0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7644   -0.2658   -0.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8012    0.6944    0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6483    1.7682    0.1258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9529    0.5822    1.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1054   -0.4977    1.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0071    1.4729   -0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5359    2.1037    0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7459    2.7532    0.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2790    3.3887    1.6339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4334    2.7886   -0.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6552    3.4709   -0.7250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9223    2.1641   -1.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7271    1.5217   -1.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6783    1.8111    0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9434    1.2854    0.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4692   -0.2516   -0.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7300   -0.8148   -0.8011 C   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
  4  5  2  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  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  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
 19 21  1  6  0  0  0
 21 22  2  0  0  0  0
 21 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  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 18 33  1  1  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 16 41  1  0  0  0  0
 41 42  2  0  0  0  0
  5 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44  2  1  0  0  0  0
 42 13  1  0  0  0  0
 20 15  1  0  0  0  0
 32 26  1  0  0  0  0
 40 33  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0045221

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC=C(CCNC(=O)\C=C\C2=CC3=C(O[C@@H]([C@H](O3)C(=O)NCCC3=CC=C(O)C=C3)C3=CC(O)=C(O)C=C3)C=C2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C34H32N2O8/c37-25-8-1-21(2-9-25)15-17-35-31(41)14-6-23-5-13-29-30(19-23)44-33(32(43-29)24-7-12-27(39)28(40)20-24)34(42)36-18-16-22-3-10-26(38)11-4-22/h1-14,19-20,32-33,37-40H,15-18H2,(H,35,41)(H,36,42)/b14-6+/t32-,33+/m1/s1

> <INCHI_KEY>
YJZSVAMKJBSVAX-OFIDKDFJSA-N

> <FORMULA>
C34H32N2O8

> <MOLECULAR_WEIGHT>
596.636

> <EXACT_MASS>
596.215865998

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
64.58267678403652

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-7-[(1E)-2-{[2-(4-hydroxyphenyl)ethyl]carbamoyl}eth-1-en-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

> <ALOGPS_LOGP>
4.05

> <JCHEM_LOGP>
4.768872830666666

> <ALOGPS_LOGS>
-5.64

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.406686993043595

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.903121137922973

> <JCHEM_PKA_STRONGEST_BASIC>
-0.38805222745987933

> <JCHEM_POLAR_SURFACE_AREA>
157.58

> <JCHEM_REFRACTIVITY>
164.22659999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.35e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-7-[(1E)-2-{[2-(4-hydroxyphenyl)ethyl]carbamoyl}eth-1-en-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-MAR-20         0                                  
HETATM    1  O   UNK     0      14.582  -1.952   0.098  0.00  0.00           O+0
HETATM    2  C   UNK     0      13.343  -1.426   0.292  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.675  -1.463   1.477  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.410  -0.895   1.570  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.784  -0.285   0.503  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.433   0.326   0.591  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.348  -0.673   0.261  0.00  0.00           C+0
HETATM    8  N   UNK     0       7.056  -0.020   0.355  0.00  0.00           N+0
HETATM    9  C   UNK     0       5.839  -0.688   0.100  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.863  -1.897  -0.221  0.00  0.00           O+0
HETATM   11  C   UNK     0       4.562  -0.002   0.200  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.442  -0.642  -0.047  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.134  -0.033   0.030  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.034  -0.804  -0.262  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.239  -0.275  -0.209  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.433   1.052   0.142  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.715   1.570   0.190  0.00  0.00           O+0
HETATM   18  C   UNK     0      -2.721   0.799  -0.503  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.617  -0.589   0.042  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.339  -1.063  -0.507  0.00  0.00           O+0
HETATM   21  C   UNK     0      -3.662  -1.527  -0.334  0.00  0.00           C+0
HETATM   22  O   UNK     0      -3.385  -2.388  -1.242  0.00  0.00           O+0
HETATM   23  N   UNK     0      -4.936  -1.558   0.232  0.00  0.00           N+0
HETATM   24  C   UNK     0      -5.856  -2.560  -0.240  0.00  0.00           C+0
HETATM   25  C   UNK     0      -7.176  -2.637   0.403  0.00  0.00           C+0
HETATM   26  C   UNK     0      -8.046  -1.470   0.330  0.00  0.00           C+0
HETATM   27  C   UNK     0      -8.913  -1.328  -0.759  0.00  0.00           C+0
HETATM   28  C   UNK     0      -9.764  -0.266  -0.823  0.00  0.00           C+0
HETATM   29  C   UNK     0      -9.801   0.694   0.169  0.00  0.00           C+0
HETATM   30  O   UNK     0     -10.648   1.768   0.126  0.00  0.00           O+0
HETATM   31  C   UNK     0      -8.953   0.582   1.262  0.00  0.00           C+0
HETATM   32  C   UNK     0      -8.105  -0.498   1.301  0.00  0.00           C+0
HETATM   33  C   UNK     0      -4.007   1.473  -0.464  0.00  0.00           C+0
HETATM   34  C   UNK     0      -4.536   2.104   0.645  0.00  0.00           C+0
HETATM   35  C   UNK     0      -5.746   2.753   0.518  0.00  0.00           C+0
HETATM   36  O   UNK     0      -6.279   3.389   1.634  0.00  0.00           O+0
HETATM   37  C   UNK     0      -6.433   2.789  -0.674  0.00  0.00           C+0
HETATM   38  O   UNK     0      -7.655   3.471  -0.725  0.00  0.00           O+0
HETATM   39  C   UNK     0      -5.922   2.164  -1.790  0.00  0.00           C+0
HETATM   40  C   UNK     0      -4.727   1.522  -1.666  0.00  0.00           C+0
HETATM   41  C   UNK     0       0.678   1.811   0.432  0.00  0.00           C+0
HETATM   42  C   UNK     0       1.943   1.285   0.380  0.00  0.00           C+0
HETATM   43  C   UNK     0      11.469  -0.252  -0.699  0.00  0.00           C+0
HETATM   44  C   UNK     0      12.730  -0.815  -0.801  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   44                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   43                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   42                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17   41                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   33                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19   15                                                       
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   32                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   26                                                       
CONECT   33   18   34   40                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   33                                                       
CONECT   41   16   42                                                       
CONECT   42   41   13                                                       
CONECT   43    5   44                                                       
CONECT   44   43    2                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₃₂N₂O₈

Average Mass

596.6360 Da

Monoisotopic Mass

596.21587 Da

IUPAC Name

(2S,3R)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-7-[(1E)-2-{[2-(4-hydroxyphenyl)ethyl]carbamoyl}eth-1-en-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Traditional Name

(2S,3R)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-7-[(1E)-2-{[2-(4-hydroxyphenyl)ethyl]carbamoyl}eth-1-en-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

CAS Registry Number

Not Available

SMILES

OC1=CC=C(CCNC(=O)\C=C\C2=CC3=C(O[C@@H]([C@H](O3)C(=O)NCCC3=CC=C(O)C=C3)C3=CC(O)=C(O)C=C3)C=C2)C=C1

InChI Identifier

InChI=1S/C34H32N2O8/c37-25-8-1-21(2-9-25)15-17-35-31(41)14-6-23-5-13-29-30(19-23)44-33(32(43-29)24-7-12-27(39)28(40)20-24)34(42)36-18-16-22-3-10-26(38)11-4-22/h1-14,19-20,32-33,37-40H,15-18H2,(H,35,41)(H,36,42)/b14-6+/t32-,33+/m1/s1

InChI Key

YJZSVAMKJBSVAX-OFIDKDFJSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Cannabis sativa	NULL	Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylbenzo-1,4-dioxanes. These are benzo-1,3-dioxanes having a phenyl group attached to the 1,4-dioxane moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzodioxanes

Sub Class

Phenylbenzodioxanes

Direct Parent

Phenylbenzo-1,4-dioxanes

Alternative Parents

Substituents

2-phenylbenzo-1,4-dioxane
Benzo-1,4-dioxane
Catechol
Styrene
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Para-dioxin
Benzenoid
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid derivative
Ether
Oxacycle
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Carbonyl group
Organopnictogen compound
Organonitrogen compound
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	4.05	ALOGPS
logP	4.77	ChemAxon
logS	-5.6	ALOGPS
pKa (Strongest Acidic)	8.9	ChemAxon
pKa (Strongest Basic)	-0.39	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	157.58 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	164.23 m³·mol⁻¹	ChemAxon
Polarizability	64.58 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	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

132566851

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Yan X, Tang J, dos Santos Passos C, Nurisso A, Simoes-Pires CA, Ji M, Lou H, Fan P: Characterization of Lignanamides from Hemp (Cannabis sativa L.) Seed and Their Antioxidant and Acetylcholinesterase Inhibitory Activities. J Agric Food Chem. 2015 Dec 16;63(49):10611-9. doi: 10.1021/acs.jafc.5b05282. Epub 2015 Dec 2. [PubMed:26585089 ]

Showing NP-Card for Cannabisin M (NP0045221)

MOL for NP0045221 (Cannabisin M)

3D MOL for NP0045221 (Cannabisin M)

3D SDF for NP0045221 (Cannabisin M)

3D-SDF for NP0045221 (Cannabisin M)

PDB for NP0045221 (Cannabisin M)

3D PDB for NP0045221 (Cannabisin M)

SMILES for NP0045221 (Cannabisin M)

INCHI for NP0045221 (Cannabisin M)

Structure for NP0045221 (Cannabisin M)

3D Structure for NP0045221 (Cannabisin M)