NP-MRD: Showing NP-Card for (2r,3r)-2-{5-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one (NP0286566)

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Record Information

Version

2.0

Created at

2022-09-09 15:11:56 UTC

Updated at

2022-09-09 15:11:56 UTC

NP-MRD ID

NP0286566

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r)-2-{5-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one

Description

(2R,3R)-2-{5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one belongs to the class of organic compounds known as 3'-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 3'-position. (2r,3r)-2-{5-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one is found in Morus macroura. Based on a literature review very few articles have been published on (2R,3R)-2-{5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092217112D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309092217112D          

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    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6029    0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7960    0.9561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1550    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9619    1.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5140    1.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2590    2.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8111    3.2370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4521    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    2.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931    2.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  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  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 11 22  1  0  0  0  0
 22 23  1  6  0  0  0
 10 24  2  0  0  0  0
  5 24  1  0  0  0  0
  4 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
 25 36  1  0  0  0  0
 36 37  1  6  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 42 43  2  0  0  0  0
 37 43  1  0  0  0  0
 43 44  1  0  0  0  0
 36 45  1  0  0  0  0
  2 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0286566

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C[C@H]([C@@H]([C@H](C1)C1=CC=C(O)C=C1O)C(=O)C1=CC=C(O)C=C1O)C1=CC=C(O)C(=C1)[C@H]1OC2=CC(O)=CC=C2C(=O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C35H30O10/c1-16-10-24(17-2-9-27(39)26(12-17)35-34(44)33(43)23-8-5-20(38)15-30(23)45-35)31(32(42)22-7-4-19(37)14-29(22)41)25(11-16)21-6-3-18(36)13-28(21)40/h2-10,12-15,24-25,31,34-41,44H,11H2,1H3/t24-,25+,31-,34-,35+/m0/s1

> <INCHI_KEY>
OXRNOBBGGNLAOV-JIUDMKAASA-N

> <FORMULA>
C35H30O10

> <MOLECULAR_WEIGHT>
610.615

> <EXACT_MASS>
610.183897166

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
62.33958640165673

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R)-2-{5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one

> <JCHEM_LOGP>
5.603489114000001

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.017653632123206

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.4442297939055875

> <JCHEM_PKA_STRONGEST_BASIC>
-4.043227540451885

> <JCHEM_POLAR_SURFACE_AREA>
184.98

> <JCHEM_REFRACTIVITY>
164.86149999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R)-2-{5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.859   1.465   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -3.352   1.785   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -5.889   2.609   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -7.396   2.289   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -8.426   3.433   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -7.950   4.898   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -8.981   6.042   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -6.444   5.218   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -5.413   4.074   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -3.907   4.394   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -9.336   2.310   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0     -10.669   1.540   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0     -12.003   2.310   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0     -10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -9.336  -2.310   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   45                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   25                                                  
CONECT    5    4    6   24                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   24                                                  
CONECT   11   10   12   22                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   19                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   13   20                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   11   23                                                  
CONECT   23   22                                                            
CONECT   24   10    5                                                       
CONECT   25    4   26   36                                                  
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   34                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   28   35                                                  
CONECT   35   34                                                            
CONECT   36   25   37   45                                                  
CONECT   37   36   38   43                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42   37   44                                                  
CONECT   44   43                                                            
CONECT   45   36    2                                                       
MASTER        0    0    0    0    0    0    0    0   45    0  100    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₃₀O₁₀

Average Mass

610.6150 Da

Monoisotopic Mass

610.18390 Da

IUPAC Name

(2R,3R)-2-{5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

(2R,3R)-2-{5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one

CAS Registry Number

Not Available

SMILES

CC1=C[C@H]([C@@H]([C@H](C1)C1=CC=C(O)C=C1O)C(=O)C1=CC=C(O)C=C1O)C1=CC=C(O)C(=C1)[C@H]1OC2=CC(O)=CC=C2C(=O)[C@@H]1O

InChI Identifier

InChI=1S/C35H30O10/c1-16-10-24(17-2-9-27(39)26(12-17)35-34(44)33(43)23-8-5-20(38)15-30(23)45-35)31(32(42)22-7-4-19(37)14-29(22)41)25(11-16)21-6-3-18(36)13-28(21)40/h2-10,12-15,24-25,31,34-41,44H,11H2,1H3/t24-,25+,31-,34-,35+/m0/s1

InChI Key

OXRNOBBGGNLAOV-JIUDMKAASA-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
Morus laevigata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3'-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 3'-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

3'-prenylated flavanones

Alternative Parents

Substituents

3'-prenylated flavanone
Linear 1,7-diphenylheptane skeleton
3-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Flavanonol
Flavanone
Alkyl-phenylketone
Chromone
1-benzopyran
Benzopyran
Chromane
Phenylketone
Resorcinol
Aryl alkyl ketone
Aryl ketone
Benzoyl
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Ketone
Secondary alcohol
Organoheterocyclic compound
Ether
Oxacycle
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
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	5.6	ChemAxon
pKa (Strongest Acidic)	7.44	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	184.98 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	164.86 m³·mol⁻¹	ChemAxon
Polarizability	62.34 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	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

162949244

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3r)-2-{5-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one (NP0286566)

MOL for NP0286566 ((2r,3r)-2-{5-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

3D MOL for NP0286566 ((2r,3r)-2-{5-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

3D SDF for NP0286566 ((2r,3r)-2-{5-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

3D-SDF for NP0286566 ((2r,3r)-2-{5-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

PDB for NP0286566 ((2r,3r)-2-{5-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

3D PDB for NP0286566 ((2r,3r)-2-{5-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

SMILES for NP0286566 ((2r,3r)-2-{5-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

INCHI for NP0286566 ((2r,3r)-2-{5-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

Structure for NP0286566 ((2r,3r)-2-{5-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

3D Structure for NP0286566 ((2r,3r)-2-{5-[(1r,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)