NP-MRD: Showing NP-Card for 5-[(1r,2r)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol (NP0248079)

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Record Information

Version

2.0

Created at

2022-09-07 10:11:35 UTC

Updated at

2022-09-07 10:11:35 UTC

NP-MRD ID

NP0248079

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-[(1r,2r)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol

Description

5-[(1R,2R)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. 5-[(1r,2r)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol is found in Magnolia officinalis. Based on a literature review very few articles have been published on 5-[(1R,2R)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072212112D          

 42 45  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309072212112D          

 42 45  0  0  1  0            999 V2000
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    4.2868   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  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  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 30 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 28 36  1  0  0  0  0
 36 37  1  0  0  0  0
 12 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 10 40  1  0  0  0  0
 40 41  1  0  0  0  0
  9 42  2  0  0  0  0
  4 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0248079

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@H](COC1=CC=C(CC=C)C=C1C1=CC(CC=C)=CC=C1O)[C@H](O)C1=CC=C(O)C(=C1)C1=CC(CC=C)=CC=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C36H36O6/c1-4-7-23-10-14-31(37)27(18-23)29-21-26(13-16-33(29)39)36(41)34(40)22-42-35-17-12-25(9-6-3)20-30(35)28-19-24(8-5-2)11-15-32(28)38/h4-6,10-21,34,36-41H,1-3,7-9,22H2/t34-,36-/m1/s1

> <INCHI_KEY>
FVWZTCBBMRXVFJ-QZCRLSDHSA-N

> <FORMULA>
C36H36O6

> <MOLECULAR_WEIGHT>
564.678

> <EXACT_MASS>
564.251188879

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
62.625531614698005

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-[(1R,2R)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol

> <JCHEM_LOGP>
7.9588447416666686

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.049303230325693

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.501217775492172

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5018525047137388

> <JCHEM_POLAR_SURFACE_AREA>
110.38000000000001

> <JCHEM_REFRACTIVITY>
168.13579999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
5-[(1R,2R)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol

> <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      16.004   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.004   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      14.670  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.670  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      16.004  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      16.004  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      14.670  -5.390   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      14.670  -6.930   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      12.003 -10.010   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.336 -10.010   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       8.002  -9.240   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       8.002 -12.320   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.336 -14.630   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.336 -16.170   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.002 -16.940   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.002 -18.480   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.336 -19.250   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.336 -20.790   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.668 -16.170   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.668 -14.630   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.335 -13.860   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.001 -14.630   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.334 -14.630   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.000 -13.860   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.334 -14.630   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       6.668 -11.550   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      10.669  -3.080   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      13.337  -3.080   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   42                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   42                                                  
CONECT   10    9   11   40                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   38                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   27                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   26                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   22   27                                                       
CONECT   27   26   19   28                                                  
CONECT   28   27   29   36                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   34                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   30   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   28   37                                                  
CONECT   37   36                                                            
CONECT   38   12   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   10   41                                                  
CONECT   41   40                                                            
CONECT   42    9    4                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₃₆O₆

Average Mass

564.6780 Da

Monoisotopic Mass

564.25119 Da

IUPAC Name

5-[(1R,2R)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol

Traditional Name

5-[(1R,2R)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol

CAS Registry Number

Not Available

SMILES

O[C@H](COC1=CC=C(CC=C)C=C1C1=CC(CC=C)=CC=C1O)[C@H](O)C1=CC=C(O)C(=C1)C1=CC(CC=C)=CC=C1O

InChI Identifier

InChI=1S/C36H36O6/c1-4-7-23-10-14-31(37)27(18-23)29-21-26(13-16-33(29)39)36(41)34(40)22-42-35-17-12-25(9-6-3)20-30(35)28-19-24(8-5-2)11-15-32(28)38/h4-6,10-21,34,36-41H,1-3,7-9,22H2/t34-,36-/m1/s1

InChI Key

FVWZTCBBMRXVFJ-QZCRLSDHSA-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
Magnolia officinalis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Biphenyls and derivatives

Direct Parent

Biphenyls and derivatives

Alternative Parents

Substituents

Biphenyl
Phenoxy compound
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Phenol
Alkyl aryl ether
Secondary alcohol
1,2-diol
Ether
Organic oxygen compound
Hydrocarbon derivative
Aromatic alcohol
Organooxygen compound
Alcohol
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	7.96	ChemAxon
pKa (Strongest Acidic)	8.5	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	110.38 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	168.14 m³·mol⁻¹	ChemAxon
Polarizability	62.63 Å³	ChemAxon
Number of Rings	4	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

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

162872262

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-[(1r,2r)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol (NP0248079)

MOL for NP0248079 (5-[(1r,2r)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol)

3D MOL for NP0248079 (5-[(1r,2r)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol)

3D SDF for NP0248079 (5-[(1r,2r)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol)

3D-SDF for NP0248079 (5-[(1r,2r)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol)

PDB for NP0248079 (5-[(1r,2r)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol)

3D PDB for NP0248079 (5-[(1r,2r)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol)

SMILES for NP0248079 (5-[(1r,2r)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol)

INCHI for NP0248079 (5-[(1r,2r)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol)

Structure for NP0248079 (5-[(1r,2r)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol)

3D Structure for NP0248079 (5-[(1r,2r)-1,2-dihydroxy-3-{[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}propyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol)