NP-MRD: Showing NP-Card for (3ar,4r,6ar)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one (NP0223591)

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Record Information

Version

2.0

Created at

2022-09-06 01:43:48 UTC

Updated at

2022-09-06 01:43:48 UTC

NP-MRD ID

NP0223591

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3ar,4r,6ar)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one

Description

CHEMBL376697 belongs to the class of organic compounds known as lignan lactones. These are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others. (3ar,4r,6ar)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one is found in Tarenna attenuata. Based on a literature review very few articles have been published on CHEMBL376697.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062203432D          

 34 37  0  0  1  0            999 V2000
    0.3341   -8.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2179   -7.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370   -7.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5150   -6.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2601   -5.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8121   -5.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6191   -5.1885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5572   -4.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1092   -3.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9162   -3.7908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498   -4.0609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047   -3.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -2.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543   -2.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063   -2.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2076   -1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146   -1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -0.9224    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.1576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937    1.1971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5666   -2.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3117   -3.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637   -3.7178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6088   -4.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5469   -5.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0989   -6.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8440   -6.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3960   -7.4694    0.0000 O   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  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  6  0  0  0
 21 26  1  0  0  0  0
 18 26  1  0  0  0  0
 17 27  1  0  0  0  0
 27 28  2  0  0  0  0
 12 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  5 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
  3 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END


  Mrv1652309062203432D          

 34 37  0  0  1  0            999 V2000
    0.3341   -8.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2179   -7.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370   -7.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5150   -6.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2601   -5.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8121   -5.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6191   -5.1885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5572   -4.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1092   -3.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9162   -3.7908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498   -4.0609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047   -3.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -2.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543   -2.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063   -2.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2076   -1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146   -1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -0.9224    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.1576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937    1.1971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5666   -2.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3117   -3.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637   -3.7178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6088   -4.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5469   -5.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0989   -6.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8440   -6.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3960   -7.4694    0.0000 O   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  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  6  0  0  0
 21 26  1  0  0  0  0
 18 26  1  0  0  0  0
 17 27  1  0  0  0  0
 27 28  2  0  0  0  0
 12 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  5 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
  3 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0223591

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1O)C(O)C(CO)OC1=C(OC)C=C(C=C1OC)[C@@H]1OC[C@H]2[C@@H]1COC2=O

> <INCHI_IDENTIFIER>
InChI=1S/C24H28O10/c1-29-17-6-12(4-5-16(17)26)21(27)20(9-25)34-23-18(30-2)7-13(8-19(23)31-3)22-14-10-33-24(28)15(14)11-32-22/h4-8,14-15,20-22,25-27H,9-11H2,1-3H3/t14-,15-,20?,21?,22-/m0/s1

> <INCHI_KEY>
WXNHVUOGFJILRR-YGAXPAPJSA-N

> <FORMULA>
C24H28O10

> <MOLECULAR_WEIGHT>
476.478

> <EXACT_MASS>
476.168247102

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
46.941680738489254

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3aR,4R,6aR)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-one

> <JCHEM_LOGP>
0.8571139726666657

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.44212229817358

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.908705686452745

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9898435205743867

> <JCHEM_POLAR_SURFACE_AREA>
133.14000000000001

> <JCHEM_REFRACTIVITY>
118.10280000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(3aR,4R,6aR)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3H-furo[3,4-c]furan-1-one

> <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       0.624 -15.728   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.407 -14.583   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.069 -13.119   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.961 -11.974   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.486 -10.510   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.516  -9.365   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -3.022  -9.685   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.040  -7.900   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.071  -6.756   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -3.577  -7.076   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.466  -7.580   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.942  -6.116   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.088  -4.971   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.595  -5.291   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -2.625  -4.147   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.388  -3.507   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.894  -3.186   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.370  -1.722   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.465  -0.476   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.370   0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.834   0.294   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.299   0.770   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.775   2.235   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       6.204  -0.476   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       5.299  -1.722   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.834  -1.246   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.924  -4.331   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.449  -5.795   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       3.479  -6.940   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       3.003  -8.405   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.021 -10.189   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.051 -11.334   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.575 -12.798   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.606 -13.943   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   33                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   31                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    8   12                                                       
CONECT   12   11   13   28                                                  
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13   17                                                       
CONECT   17   16   18   27                                                  
CONECT   18   17   19   26                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   26                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   21   18                                                  
CONECT   27   17   28                                                       
CONECT   28   27   12   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31    5   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32    3   34                                                  
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₂₈O₁₀

Average Mass

476.4780 Da

Monoisotopic Mass

476.16825 Da

IUPAC Name

(3aR,4R,6aR)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-one

Traditional Name

(3aR,4R,6aR)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3H-furo[3,4-c]furan-1-one

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC=C1O)C(O)C(CO)OC1=C(OC)C=C(C=C1OC)[C@@H]1OC[C@H]2[C@@H]1COC2=O

InChI Identifier

InChI=1S/C24H28O10/c1-29-17-6-12(4-5-16(17)26)21(27)20(9-25)34-23-18(30-2)7-13(8-19(23)31-3)22-14-10-33-24(28)15(14)11-32-22/h4-8,14-15,20-22,25-27H,9-11H2,1-3H3/t14-,15-,20?,21?,22-/m0/s1

InChI Key

WXNHVUOGFJILRR-YGAXPAPJSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Tarenna attenuata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lignan lactones. These are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Lignan lactones

Sub Class

Not Available

Direct Parent

Lignan lactones

Alternative Parents

Substituents

Furanoid lignan
Lignan lactone
Furofuran lignan skeleton
M-dimethoxybenzene
Dimethoxybenzene
Methoxyphenol
Phenoxy compound
Anisole
Phenol ether
Methoxybenzene
Furofuran
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Gamma butyrolactone
Benzenoid
Monocyclic benzene moiety
Oxolane
Carboxylic acid ester
Lactone
Secondary alcohol
Carboxylic acid derivative
Dialkyl ether
Ether
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organic oxygen compound
Organooxygen compound
Alcohol
Organic oxide
Hydrocarbon derivative
Aromatic alcohol
Carbonyl group
Primary alcohol
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	0.86	ChemAxon
pKa (Strongest Acidic)	9.91	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	133.14 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	118.1 m³·mol⁻¹	ChemAxon
Polarizability	46.94 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

17343909

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

16216276

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3ar,4r,6ar)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one (NP0223591)

MOL for NP0223591 ((3ar,4r,6ar)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one)

3D MOL for NP0223591 ((3ar,4r,6ar)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one)

3D SDF for NP0223591 ((3ar,4r,6ar)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one)

3D-SDF for NP0223591 ((3ar,4r,6ar)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one)

PDB for NP0223591 ((3ar,4r,6ar)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one)

3D PDB for NP0223591 ((3ar,4r,6ar)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one)

SMILES for NP0223591 ((3ar,4r,6ar)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one)

INCHI for NP0223591 ((3ar,4r,6ar)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one)

Structure for NP0223591 ((3ar,4r,6ar)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one)

3D Structure for NP0223591 ((3ar,4r,6ar)-4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one)