NP-MRD: Showing NP-Card for (1r,2s)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol (NP0211400)

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Record Information

Version

2.0

Created at

2022-09-05 09:40:12 UTC

Updated at

2022-09-05 09:40:12 UTC

NP-MRD ID

NP0211400

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

Description

Ficusesquilignan A 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. (1r,2s)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol is found in Berberis koreana. (1r,2s)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol was first documented in 2011 (PMID: 21837972). Based on a literature review a small amount of articles have been published on Ficusesquilignan A (PMID: 24380305) (PMID: 31602854).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052211402D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309052211402D          

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    1.5692    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692   -1.3349    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8242   -2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6312   -2.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8861   -3.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6931   -3.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2451   -2.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3341   -3.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5890   -4.4734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5271   -3.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9751   -4.1303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1681   -3.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2721   -2.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0619    0.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168    1.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1238    1.9123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3788    2.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0817    4.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8886    4.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1436    5.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9505    5.2223    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  1  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  6  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  2  0  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  6  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  1  1  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  2  0  0  0  0
 24 34  1  0  0  0  0
 15 35  1  0  0  0  0
 35 36  2  0  0  0  0
 12 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
  5 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
  3 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0211400

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1O)[C@@H](O)[C@H](CO)OC1=CC=C(C=C1OC)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2C1=CC(OC)=C(O)C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C31H36O11/c1-36-23-9-16(5-7-21(23)33)28(34)27(13-32)42-22-8-6-17(10-24(22)37-2)30-19-14-41-31(20(19)15-40-30)18-11-25(38-3)29(35)26(12-18)39-4/h5-12,19-20,27-28,30-35H,13-15H2,1-4H3/t19-,20-,27+,28-,30+,31+/m1/s1

> <INCHI_KEY>
PFZFCRCFYYFTPE-RWMYVIIASA-N

> <FORMULA>
C31H36O11

> <MOLECULAR_WEIGHT>
584.618

> <EXACT_MASS>
584.225761979

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
59.68583460466806

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S)-2-{4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

> <JCHEM_LOGP>
2.2685489836666664

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.00485733849732

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.206815807004116

> <JCHEM_PKA_STRONGEST_BASIC>
-2.989764288878031

> <JCHEM_POLAR_SURFACE_AREA>
145.53000000000003

> <JCHEM_REFRACTIVITY>
151.0274

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S)-2-{4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      -6.820  12.357   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -5.313  12.037   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -4.838  10.573   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.331  10.252   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.855   8.788   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.349   8.468   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.319   9.612   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -0.873   7.003   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.633   6.683   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.664   7.827   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -1.904   5.859   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.428   4.394   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.079   4.074   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.555   2.609   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.476   1.465   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -0.905  -1.246   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -0.000  -2.492   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.465  -2.016   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.465  -0.476   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.929   0.000   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       3.834  -1.246   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       2.929  -2.492   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.405  -3.956   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.911  -4.277   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.387  -5.741   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       6.894  -6.061   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       7.924  -4.917   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.357  -6.886   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       4.833  -8.350   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.851  -6.565   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       1.820  -7.710   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.314  -7.390   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.375  -5.101   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.982   1.785   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -2.458   3.249   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -3.964   3.570   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -4.440   5.034   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -3.886   7.643   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -5.392   7.964   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -5.868   9.428   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -7.374   9.748   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   41                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   39                                                  
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   36                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   35                                                  
CONECT   16   15   17   20                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   23                                                  
CONECT   20   19   16   21                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   19   24                                                  
CONECT   24   23   25   34                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   29                                                  
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   26   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   24                                                       
CONECT   35   15   36                                                       
CONECT   36   35   12   37                                                  
CONECT   37   36   38                                                       
CONECT   38   37                                                            
CONECT   39    5   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40    3   42                                                  
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₃₆O₁₁

Average Mass

584.6180 Da

Monoisotopic Mass

584.22576 Da

IUPAC Name

(1R,2S)-2-{4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

Traditional Name

(1R,2S)-2-{4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC=C1O)[C@@H](O)[C@H](CO)OC1=CC=C(C=C1OC)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2C1=CC(OC)=C(O)C(OC)=C1

InChI Identifier

InChI=1S/C31H36O11/c1-36-23-9-16(5-7-21(23)33)28(34)27(13-32)42-22-8-6-17(10-24(22)37-2)30-19-14-41-31(20(19)15-40-30)18-11-25(38-3)29(35)26(12-18)39-4/h5-12,19-20,27-28,30-35H,13-15H2,1-4H3/t19-,20-,27+,28-,30+,31+/m1/s1

InChI Key

PFZFCRCFYYFTPE-RWMYVIIASA-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
Berberis koreana	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
Methoxyphenol
Dimethoxybenzene
M-dimethoxybenzene
Methoxybenzene
Anisole
Phenoxy compound
Furofuran
Phenol ether
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Oxolane
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Dialkyl ether
Ether
Organic oxygen compound
Hydrocarbon derivative
Aromatic alcohol
Primary alcohol
Alcohol
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	2.27	ChemAxon
pKa (Strongest Acidic)	9.21	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	145.53 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	151.03 m³·mol⁻¹	ChemAxon
Polarizability	59.69 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

C00032978

Chemspider ID

26353377

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

54580061

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Li W, Mei WL, Wang H, Zuo WJ, Yang DL, Dai HF: [Chemical constituents from stems of Aquilaria sinensis]. Zhongguo Zhong Yao Za Zhi. 2013 Sep;38(17):2826-31. [PubMed:24380305 ]
Liu J, Zhang X, Shi Y, Zhang Q, Ma Y, Chen J: [Studies on chemical constituents of Illicium simonsii]. Zhongguo Zhong Yao Za Zhi. 2011 May;36(10):1311-5. [PubMed:21837972 ]
Ding WQ, Shi GR, Yu SS: [Chemical compositions from roots of Erythrina corallodendron]. Zhongguo Zhong Yao Za Zhi. 2019 Jul;44(14):3064-3069. doi: 10.19540/j.cnki.cjcmm.20190520.204. [PubMed:31602854 ]
LOTUS database [Link]

Showing NP-Card for (1r,2s)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol (NP0211400)

MOL for NP0211400 ((1r,2s)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol)

3D MOL for NP0211400 ((1r,2s)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol)

3D SDF for NP0211400 ((1r,2s)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol)

3D-SDF for NP0211400 ((1r,2s)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol)

PDB for NP0211400 ((1r,2s)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol)

3D PDB for NP0211400 ((1r,2s)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol)

SMILES for NP0211400 ((1r,2s)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol)

INCHI for NP0211400 ((1r,2s)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol)

Structure for NP0211400 ((1r,2s)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol)

3D Structure for NP0211400 ((1r,2s)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol)