NP-MRD: Showing NP-Card for 2-methoxy-4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol (NP0249791)

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Record Information

Version

2.0

Created at

2022-09-07 12:27:09 UTC

Updated at

2022-09-07 12:27:09 UTC

NP-MRD ID

NP0249791

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-methoxy-4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol

Description

Dehydrodiisoeugenol belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 2-methoxy-4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol is found in Myristica fragrans. 2-methoxy-4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol was first documented in 2021 (PMID: 34457033). Based on a literature review a small amount of articles have been published on Dehydrodiisoeugenol (PMID: 35956790) (PMID: 34399756) (PMID: 33838688).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 48  0  0  0  0  0  0  0  0999 V2000
    5.5559    3.0358   -2.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3372    2.3840   -1.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4263    1.3455   -1.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2677    0.6766   -0.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4853   -0.4209    0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4604   -1.1166    0.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159   -2.2132    1.7376 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0647   -2.5885    1.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1664   -0.7125    0.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9273    0.3603   -0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9694    1.0569   -0.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280    0.5815   -0.2733 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8804    2.0432   -0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0775   -0.2227    0.8810 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3513   -0.8722    0.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3801   -1.8657   -0.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5914   -2.4584   -0.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745   -2.0538   -0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9950   -2.6115   -0.5296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7214   -1.0511    0.7459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8886   -0.6503    1.3470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0344    0.3332    2.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5158   -0.4598    1.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0530   -1.1959    1.0769 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167    3.6927   -3.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1896    2.2030   -2.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1456    3.5134   -1.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912    2.8049   -2.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4465    1.0102   -0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4983   -0.7602    0.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6376   -1.6910    2.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1384   -3.4305    2.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5731   -2.8798    1.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7856    1.9111   -1.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9378    0.1378   -1.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0302    2.6591    0.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5377    2.1469    0.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3999    2.3608   -1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2124    0.3890    1.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4598   -2.1569   -0.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5959   -3.2278   -1.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8192   -2.2794   -0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1765    0.4663    2.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1803    1.3111    1.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9263    0.1636    2.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4918    0.3318    1.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0
  7  6  1  0
  6  9  2  0
  9 24  1  0
 24 14  1  0
 14 12  1  0
 12 13  1  0
 12 10  1  0
 10 11  2  0
 11  4  1  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  4  5  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
  5  6  1  0
 23 15  1  0
 10  9  1  0
  8 31  1  0
  8 32  1  0
  8 33  1  0
 14 39  1  1
 12 35  1  6
 13 36  1  0
 13 37  1  0
 13 38  1  0
 11 34  1  0
  3 29  1  0
  2 28  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  5 30  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 22 43  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
M  END


  Mrv1652309072214272D          

 24 26  0  0  0  0            999 V2000
    5.4957    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212    2.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    3.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    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
  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
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  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  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  2  0  0  0  0
 15 23  1  0  0  0  0
 14 24  1  0  0  0  0
  9 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0249791

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C2OC(C(C)C2=CC(\C=C\C)=C1)C1=CC=C(O)C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+

> <INCHI_KEY>
ITDOFWOJEDZPCF-AATRIKPKSA-N

> <FORMULA>
C20H22O4

> <MOLECULAR_WEIGHT>
326.392

> <EXACT_MASS>
326.151809188

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
36.54231202542839

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-methoxy-4-{7-methoxy-3-methyl-5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol

> <JCHEM_LOGP>
4.509105280000002

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.910052643836877

> <JCHEM_PKA_STRONGEST_BASIC>
-4.436099143734611

> <JCHEM_POLAR_SURFACE_AREA>
47.92

> <JCHEM_REFRACTIVITY>
94.8523

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-methoxy-4-{7-methoxy-3-methyl-5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      10.259   4.383   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.925   3.613   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.591   4.383   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.258   3.613   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.924   1.303   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.924  -0.237   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.590  -1.007   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.126   4.089   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.650   5.553   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.320   2.843   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.090   1.509   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.630   1.509   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.400   2.843   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -4.940   2.843   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -2.630   4.177   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -3.400   5.510   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -2.630   6.844   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.090   4.177   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.126   1.597   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   11                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6   10   24                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10    4                                                       
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   24                                                  
CONECT   15   14   16   23                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   15                                                       
CONECT   24   14    9                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₂O₄

Average Mass

326.3920 Da

Monoisotopic Mass

326.15181 Da

IUPAC Name

2-methoxy-4-{7-methoxy-3-methyl-5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol

Traditional Name

2-methoxy-4-{7-methoxy-3-methyl-5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol

CAS Registry Number

Not Available

SMILES

COC1=C2OC(C(C)C2=CC(\C=C\C)=C1)C1=CC=C(O)C(OC)=C1

InChI Identifier

InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+

InChI Key

ITDOFWOJEDZPCF-AATRIKPKSA-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
Myristica fragrans	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

2-arylbenzofuran flavonoids

Sub Class

Not Available

Direct Parent

2-arylbenzofuran flavonoids

Alternative Parents

Substituents

2-arylbenzofuran flavonoid
Neolignan skeleton
Methoxyphenol
Coumaran
Benzofuran
Phenoxy compound
Anisole
Methoxybenzene
Styrene
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Oxacycle
Organoheterocyclic compound
Ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

benzofurans (CHEBI:86603 )

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	4.51	ChemAxon
pKa (Strongest Acidic)	9.91	ChemAxon
pKa (Strongest Basic)	-4.4	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	4	ChemAxon
Refractivity	94.85 m³·mol⁻¹	ChemAxon
Polarizability	36.54 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	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00047038

Chemspider ID

4527718

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5379033

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Liu S, Li X, Chen B, Ouyang X, Xie Y, Chen D: Phytophenol Dimerization Reaction: From Basic Rules to Diastereoselectivity and Beyond. Molecules. 2022 Jul 28;27(15):4842. doi: 10.3390/molecules27154842. [PubMed:35956790 ]
Qiburi Q, Temuqile T, Baigude H: Synergistic Regulation of Microglia Gene Expression by Natural Molecules in Herbal Medicine. Evid Based Complement Alternat Med. 2021 Aug 18;2021:9920364. doi: 10.1155/2021/9920364. eCollection 2021. [PubMed:34457033 ]
Zhang J, Si H, Sun J, Lv K, Yan B, Li B, Zhou X, Zhang J: Determination of myrislignan levels in BALB/c mouse plasma by LC-MS/MS and a comparison of its pharmacokinetics after oral and intraperitoneal administration. BMC Vet Res. 2021 Aug 16;17(1):275. doi: 10.1186/s12917-021-02990-y. [PubMed:34399756 ]
Li C, Zhang K, Pan G, Ji H, Li C, Wang X, Hu X, Liu R, Deng L, Wang Y, Yang L, Cui H: Dehydrodiisoeugenol inhibits colorectal cancer growth by endoplasmic reticulum stress-induced autophagic pathways. J Exp Clin Cancer Res. 2021 Apr 10;40(1):125. doi: 10.1186/s13046-021-01915-9. [PubMed:33838688 ]
LOTUS database [Link]

Showing NP-Card for 2-methoxy-4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol (NP0249791)

MOL for NP0249791 (2-methoxy-4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol)

3D MOL for NP0249791 (2-methoxy-4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol)

3D SDF for NP0249791 (2-methoxy-4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol)

3D-SDF for NP0249791 (2-methoxy-4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol)

PDB for NP0249791 (2-methoxy-4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol)

3D PDB for NP0249791 (2-methoxy-4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol)

SMILES for NP0249791 (2-methoxy-4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol)

INCHI for NP0249791 (2-methoxy-4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol)

Structure for NP0249791 (2-methoxy-4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol)

3D Structure for NP0249791 (2-methoxy-4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol)