NP-MRD: Showing NP-Card for 5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole (NP0222999)

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Record Information

Version

2.0

Created at

2022-09-06 00:58:29 UTC

Updated at

2022-09-06 00:58:29 UTC

NP-MRD ID

NP0222999

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole

Description

Aschantin belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units. 5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole is found in Achillea holosericea, Artemisia absinthium, Artemisia arborescens, Artemisia argentea, Artemisia gorgonum, Magnolia biondii and Magnolia coco. 5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole was first documented in 2016 (PMID: 27128896). Based on a literature review a small amount of articles have been published on aschantin (PMID: 34993485) (PMID: 34750753) (PMID: 34486300) (PMID: 29676096).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062202582D          

 29 33  0  0  1  0            999 V2000
   -2.9611   -5.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7062   -4.8699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8992   -4.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6442   -3.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8373   -3.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5823   -2.9576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0673   -2.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5823   -1.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2023   -1.8777    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9869   -1.6227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2419   -0.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6898   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    0.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517    0.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038    0.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0488   -0.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0574    0.4536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9712    1.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1642    1.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4718   -2.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9869   -2.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2023   -2.7027    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2852   -4.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5402   -5.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0119   -5.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2431   -6.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3471   -5.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6021   -6.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0501   -6.7092    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
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  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
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  6  0  0  0
  6 22  1  0  0  0  0
  9 22  1  0  0  0  0
  5 23  2  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
 24 27  2  0  0  0  0
  3 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END


  Mrv1652309062202582D          

 29 33  0  0  1  0            999 V2000
   -2.9611   -5.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7062   -4.8699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8992   -4.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6442   -3.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8373   -3.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5823   -2.9576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0673   -2.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5823   -1.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2023   -1.8777    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9869   -1.6227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2419   -0.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6898   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    0.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517    0.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038    0.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0488   -0.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0574    0.4536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9712    1.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1642    1.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4718   -2.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9869   -2.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2023   -2.7027    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2852   -4.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5402   -5.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0119   -5.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2431   -6.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3471   -5.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6021   -6.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0501   -6.7092    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
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  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
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  6  0  0  0
  6 22  1  0  0  0  0
  9 22  1  0  0  0  0
  5 23  2  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
 24 27  2  0  0  0  0
  3 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0222999

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC(OC)=C1OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2C1=CC=C2OCOC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1

> <INCHI_KEY>
ONDWGDNAFRAXCN-VUEDXXQZSA-N

> <FORMULA>
C22H24O7

> <MOLECULAR_WEIGHT>
400.427

> <EXACT_MASS>
400.152203113

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
42.07346191389273

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-[(1S,3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole

> <JCHEM_LOGP>
2.350452392666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7316981743854902

> <JCHEM_POLAR_SURFACE_AREA>
64.61000000000001

> <JCHEM_REFRACTIVITY>
103.36850000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
5-[(1S,3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -5.527 -10.555   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -5.051  -9.091   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -3.545  -8.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.069  -7.306   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.563  -6.986   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.087  -5.521   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.992  -4.275   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.087  -3.029   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.378  -3.505   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.842  -3.029   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.318  -1.564   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.288  -0.420   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.764   1.045   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.270   1.365   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.300   0.220   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.824  -1.244   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.707   0.847   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.546   2.378   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       4.040   2.698   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       2.747  -4.275   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       1.842  -5.521   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.378  -5.045   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.532  -8.130   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.008  -9.595   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       0.022 -10.739   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -0.454 -12.204   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.515  -9.915   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -2.991 -11.379   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -1.960 -12.524   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   27                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   23                                                  
CONECT    6    5    7   22                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   22                                                  
CONECT   10    9   11   20                                                  
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15   11                                                       
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   14                                                       
CONECT   20   10   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21    6    9                                                  
CONECT   23    5   24                                                       
CONECT   24   23   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   24    3   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   66    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₂₄O₇

Average Mass

400.4270 Da

Monoisotopic Mass

400.15220 Da

IUPAC Name

5-[(1S,3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole

Traditional Name

5-[(1S,3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC(OC)=C1OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2C1=CC=C2OCOC2=C1

InChI Identifier

InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1

InChI Key

ONDWGDNAFRAXCN-VUEDXXQZSA-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
Achillea holosericea	LOTUS Database	35616633
Artemisia absinthium	LOTUS Database	35616633
Artemisia arborescens	LOTUS Database	35616633
Artemisia argentea	LOTUS Database	35616633
Artemisia gorgonum	LOTUS Database	35616633
Magnolia biondii	LOTUS Database	35616633
Magnolia coco	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Furanoid lignans

Sub Class

Not Available

Direct Parent

Furanoid lignans

Alternative Parents

Substituents

Furanoid lignan
Furofuran lignan skeleton
Benzodioxole
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Furofuran
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Tetrahydrofuran
Acetal
Oxacycle
Organoheterocyclic compound
Dialkyl ether
Ether
Hydrocarbon derivative
Organic oxygen compound
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	2.35	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	64.61 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	103.37 m³·mol⁻¹	ChemAxon
Polarizability	42.07 Å³	ChemAxon
Number of Rings	5	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

HMDB0341133

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00029744

Chemspider ID

109346

KEGG Compound ID

C17845

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

122643

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Wahyuni W, Diantini A, Ghozali M, Subarnas A, Julaeha E, Amalia R, Sahidin I: Cytotoxic and Antimigration Activity of Etlingera alba (A.D.) Poulsen Rhizome. Adv Pharmacol Pharm Sci. 2021 Dec 28;2021:6597402. doi: 10.1155/2021/6597402. eCollection 2021. [PubMed:34993485 ]
Park J, Lee GE, An HJ, Lee CJ, Cho ES, Kang HC, Lee JY, Lee HS, Choi JS, Kim DJ, Choi JS, Cho YY: Kaempferol sensitizes cell proliferation inhibition in oxaliplatin-resistant colon cancer cells. Arch Pharm Res. 2021 Dec;44(12):1091-1108. doi: 10.1007/s12272-021-01358-y. Epub 2021 Nov 9. [PubMed:34750753 ]
Wahyuni, Diantini A, Ghozali M, Subarnas A, Julaeha E, Amalia R, Sahidin I: Phytochemical Screening, Toxicity Activity and Antioxidant Capacity of Ethanolic Extract of Etlingera alba Rhizome. Pak J Biol Sci. 2021 Jan;24(7):807-814. doi: 10.3923/pjbs.2021.807.814. [PubMed:34486300 ]
Feng WS, He YH, Zheng XK, Dong BB, Zhang YL, Cao YG, Yang YY, Zhang JK: [Lignans from flower buds of Magnolia biondii]. Zhongguo Zhong Yao Za Zhi. 2018 Mar;43(5):970-976. doi: 10.19540/j.cnki.cjcmm.2018.0028. [PubMed:29676096 ]
Kwon SS, Kim JH, Jeong HU, Cho YY, Oh SR, Lee HS: Inhibitory Effects of Aschantin on Cytochrome P450 and Uridine 5'-diphospho-glucuronosyltransferase Enzyme Activities in Human Liver Microsomes. Molecules. 2016 Apr 27;21(5). pii: molecules21050554. doi: 10.3390/molecules21050554. [PubMed:27128896 ]
LOTUS database [Link]

Showing NP-Card for 5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole (NP0222999)

MOL for NP0222999 (5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole)

3D MOL for NP0222999 (5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole)

3D SDF for NP0222999 (5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole)

3D-SDF for NP0222999 (5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole)

PDB for NP0222999 (5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole)

3D PDB for NP0222999 (5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole)

SMILES for NP0222999 (5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole)

INCHI for NP0222999 (5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole)

Structure for NP0222999 (5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole)

3D Structure for NP0222999 (5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole)