NP-MRD: Showing NP-Card for 5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole (NP0251290)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-07 14:26:40 UTC

Updated at

2022-09-07 14:26:40 UTC

NP-MRD ID

NP0251290

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole

Description

LICARIN B belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole is found in Bicuiba oleifera, Eupomatia laurina, Iryanthera lancifolia, Machilus thunbergii, Magnolia denudata, Magnolia kachirachirai, Myristica castaneifolia, Ocotea macrophylla and Ocotea porosa. LICARIN B is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 47  0  0  0  0  0  0  0  0999 V2000
   -6.6020    1.7019   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1490    1.4207   -0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7189    0.2016   -0.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3067   -0.1661   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9218   -1.4938   -0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5953   -1.8643   -0.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2575   -3.1969   -0.6672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2650   -4.1710   -0.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6012   -0.9210   -0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9806    0.3866   -0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105    0.7580   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3014    1.1590   -0.0069 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6662    1.1748    1.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527    0.2799   -0.7725 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6647    0.5226   -0.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0942    1.7211    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4450    1.9638    0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    0.9803   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9438   -0.2309   -0.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5924   -0.4550   -0.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -1.0400   -0.7072 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1719   -0.4506   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7528    0.8809    0.1176 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8074   -1.0092   -0.3269 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7898    2.6613    0.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0338    1.7615   -1.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0850    0.9070    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4605    2.2295    0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4522   -0.6108   -0.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7240   -2.2215   -0.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8647   -5.1930   -0.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8073   -4.0719   -1.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0628   -4.0787   -0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5119    1.8120    0.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2011    2.1687   -0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1115    0.6631    2.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6209    0.6906    1.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6622    2.2338    1.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0632    0.3327   -1.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4283    2.5291    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750    2.9058    0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2533   -1.3907   -1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0948   -0.5079   -0.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3959   -0.9730    0.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0
  7  6  1  0
  6  5  2  0
  5  4  1  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  4 11  2  0
 11 10  1  0
 10  9  2  0
  9 24  1  0
 24 14  1  0
 14 12  1  0
 12 13  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 23  1  0
 23 22  1  0
 22 21  1  0
 21 19  1  0
 19 20  2  0
  9  6  1  0
 20 15  1  0
 12 10  1  0
 19 18  1  0
  8 31  1  0
  8 32  1  0
  8 33  1  0
  5 30  1  0
  3 29  1  0
  2 28  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
 11 34  1  0
 14 39  1  6
 12 35  1  6
 13 36  1  0
 13 37  1  0
 13 38  1  0
 16 40  1  0
 17 41  1  0
 22 43  1  0
 22 44  1  0
 20 42  1  0
M  END


  Mrv1533004161502022D          

 24 27  0  0  0  0            999 V2000
    4.1350    4.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9600    4.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3725    4.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1975    4.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6100    3.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4350    3.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8475    2.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6725    2.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1975    2.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3725    2.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8204    2.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9920    1.2054    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
    4.1530    3.1684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9600    3.3400    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
    1.9233    1.1104    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
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 O   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  2  1  0  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  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  4  0  0  0
  5  9  2  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
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 15  1  0  0  0  0
 10 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  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
 19 23  1  0  0  0  0
 23 24  2  0  0  0  0
 16 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0251290

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(C=CC)=CC2=C1OC(C2C)C1=CC=C2OCOC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H20O4/c1-4-5-13-8-15-12(2)19(24-20(15)18(9-13)21-3)14-6-7-16-17(10-14)23-11-22-16/h4-10,12,19H,11H2,1-3H3

> <INCHI_KEY>
DMMQXURQRMNSBM-UHFFFAOYSA-N

> <FORMULA>
C20H20O4

> <MOLECULAR_WEIGHT>
324.376

> <EXACT_MASS>
324.136159124

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
36.4935647843884

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2H-1,3-benzodioxole

> <ALOGPS_LOGP>
4.45

> <JCHEM_LOGP>
4.593575335

> <ALOGPS_LOGS>
-5.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.3771355357585096

> <JCHEM_POLAR_SURFACE_AREA>
36.92

> <JCHEM_REFRACTIVITY>
92.17510000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.20e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2H-1,3-benzodioxole

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0       7.719   8.902   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       9.259   8.902   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      10.029   7.568   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.569   7.568   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.339   6.235   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.879   6.235   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      14.649   4.901   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      16.189   4.901   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.569   4.901   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.029   4.901   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.998   3.756   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.318   2.250   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.591   4.383   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       7.752   5.914   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.259   6.235   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.258   3.613   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.924   1.303   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.126   1.597   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.126   4.089   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   15                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    9                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    5   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14    3   10                                                  
CONECT   16   13   17   24                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   23                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   19   24                                                  
CONECT   24   23   16                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₀O₄

Average Mass

324.3760 Da

Monoisotopic Mass

324.13616 Da

IUPAC Name

5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2H-1,3-benzodioxole

Traditional Name

5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2H-1,3-benzodioxole

CAS Registry Number

Not Available

SMILES

COC1=CC(C=CC)=CC2=C1OC(C2C)C1=CC=C2OCOC2=C1

InChI Identifier

InChI=1S/C20H20O4/c1-4-5-13-8-15-12(2)19(24-20(15)18(9-13)21-3)14-6-7-16-17(10-14)23-11-22-16/h4-10,12,19H,11H2,1-3H3

InChI Key

DMMQXURQRMNSBM-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
Bicuiba oleifera	LOTUS Database	35616633
Eupomatia laurina	LOTUS Database	35616633
Iryanthera lancifolia	LOTUS Database	35616633
Machilus thunbergii	LOTUS Database	35616633
Magnolia denudata	LOTUS Database	35616633
Magnolia kachirachirai	LOTUS Database	35616633
Myristica castaneifolia	LOTUS Database	35616633
Ocotea macrophylla	LOTUS Database	35616633
Ocotea porosa	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
Coumaran
Benzodioxole
Benzofuran
Anisole
Styrene
Alkyl aryl ether
Benzenoid
Acetal
Oxacycle
Organoheterocyclic compound
Ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen 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	4.45	ALOGPS
logP	4.59	ChemAxon
logS	-5.2	ALOGPS
pKa (Strongest Basic)	-4.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	36.92 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	92.18 m³·mol⁻¹	ChemAxon
Polarizability	36.49 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	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

3398496

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole (NP0251290)

MOL for NP0251290 (5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole)

3D MOL for NP0251290 (5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole)

3D SDF for NP0251290 (5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole)

3D-SDF for NP0251290 (5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole)

PDB for NP0251290 (5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole)

3D PDB for NP0251290 (5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole)

SMILES for NP0251290 (5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole)

INCHI for NP0251290 (5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole)

Structure for NP0251290 (5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole)

3D Structure for NP0251290 (5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole)