NP-MRD: Showing NP-Card for (2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,6,7,8-pentol (NP0247635)

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Record Information

Version

2.0

Created at

2022-09-07 09:33:26 UTC

Updated at

2022-09-07 09:33:26 UTC

NP-MRD ID

NP0247635

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,6,7,8-pentol

Description

(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol belongs to the class of organic compounds known as catechins. (2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,6,7,8-pentol is found in Garcinia dulcis, Pinalia floribunda and Wisteria floribunda. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 39  0  0  0  0  0  0  0  0999 V2000
   -5.8417    1.9076    0.7742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5999    1.3576    0.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5431    2.1978    0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3033    1.6640    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0792    0.2906   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6923   -0.1322   -0.2838 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2434    0.5962    0.5322 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5766    0.3840    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    1.3378    0.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708    2.5522    0.9406 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8768    1.1018    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8306    2.0716    0.2564 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1950   -0.1260   -0.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5086   -0.4399   -0.8551 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2544   -1.1302   -0.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223   -2.3521   -1.2541 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9402   -0.8276   -0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9403   -1.9162   -0.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4232   -1.5797   -0.0156 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4897   -1.7968    1.3587 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1492   -0.5254    0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4056    0.0053    0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4744   -0.8763    0.6084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6244    1.2836    0.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6728    3.2894    0.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4883    2.3655   -0.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5202    0.0430   -1.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618    3.2718    1.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8016    1.9707    0.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2868    0.1658   -0.7626 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8874   -3.0304   -1.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8515   -2.0535   -1.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3159   -2.8825   -0.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1764   -2.2131   -0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1217   -2.5218    1.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9947   -1.5899    0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3634   -1.8627    0.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17 15  2  0
 15 16  1  0
 15 13  1  0
 13 14  1  0
 13 11  2  0
 11 12  1  0
 11  9  1  0
  9 10  1  0
  9  8  2  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5 21  2  0
 21 22  1  0
 22 23  1  0
 22  2  2  0
  2  1  1  0
  2  3  1  0
  3  4  2  0
  6 19  1  0
  4  5  1  0
  8 17  1  0
 20 35  1  0
 19 34  1  6
 18 32  1  0
 18 33  1  0
 16 31  1  0
 14 30  1  0
 12 29  1  0
 10 28  1  0
  6 27  1  6
 21 36  1  0
 23 37  1  0
  1 24  1  0
  3 25  1  0
  4 26  1  0
M  END


  Mrv1652309272007442D          

 23 25  0  0  0  0            999 V2000
 2497.8782 2500.7002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2501.4463 2501.9345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.8732 2501.1095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2500.7298 2498.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2496.4494 2499.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2496.4494 2498.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2497.8782 2497.3881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2497.1637 2499.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.1637 2498.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.8783 2498.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.8782 2499.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.7304 2500.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.7305 2499.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.4450 2499.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1596 2499.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1596 2500.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.4449 2501.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.3037 2499.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.5892 2499.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.5892 2498.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.3037 2498.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.0182 2498.6315    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2500.0182 2499.4566    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11  8  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
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16  3  1  0  0  0  0
 17  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
  1 11  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 22  4  1  6  0  0  0
 10 20  2  0  0  0  0
 19 11  2  0  0  0  0
 23 13  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0247635

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H]1CC2=C(O)C(O)=C(O)C(O)=C2O[C@@H]1C1=CC(O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H14O8/c16-7-2-1-5(3-8(7)17)14-9(18)4-6-10(19)11(20)12(21)13(22)15(6)23-14/h1-3,9,14,16-22H,4H2/t9-,14-/m1/s1

> <INCHI_KEY>
PONGJRZSHJPTOF-YMTOWFKASA-N

> <FORMULA>
C15H14O8

> <MOLECULAR_WEIGHT>
322.269

> <EXACT_MASS>
322.068867411

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
30.227396601158194

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol

> <ALOGPS_LOGP>
0.71

> <JCHEM_LOGP>
1.187976372

> <ALOGPS_LOGS>
-2.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.496758501192868

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.901252898865138

> <JCHEM_PKA_STRONGEST_BASIC>
-3.30179149111292

> <JCHEM_POLAR_SURFACE_AREA>
150.84

> <JCHEM_REFRACTIVITY>
77.9615

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.17e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  O   UNK     0    4662.7064667.974   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    4669.3674670.278   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    4672.0304668.738   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    4668.0294663.339   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    4660.0394666.430   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    4660.0394663.339   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    4662.7064661.791   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0    4661.3724665.652   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    4661.3724664.112   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    4662.7064663.342   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    4662.7064666.422   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    4668.0304667.969   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    4668.0304666.429   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    4669.3644665.659   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    4670.6984666.429   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    4670.6984667.969   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    4669.3644668.739   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0    4665.3674666.422   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0    4664.0334665.652   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    4664.0334664.112   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    4665.3674663.342   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    4666.7014664.112   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    4666.7014665.652   0.000  0.00  0.00           C+0
CONECT    1   11                                                            
CONECT    2   17                                                            
CONECT    3   16                                                            
CONECT    4   22                                                            
CONECT    5    8                                                            
CONECT    6    9                                                            
CONECT    7   10                                                            
CONECT    8    9   11    5                                                  
CONECT    9    8   10    6                                                  
CONECT   10    9    7   20                                                  
CONECT   11    8    1   19                                                  
CONECT   12   13   17                                                       
CONECT   13   12   14   23                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17    3                                                  
CONECT   17   16   12    2                                                  
CONECT   18   19   23                                                       
CONECT   19   20   18   11                                                  
CONECT   20   19   21   10                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23    4                                                  
CONECT   23   22   18   13                                                  
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
2a-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3a,5,6,7,8-pentaol	Generator
2α-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3α,5,6,7,8-pentaol	Generator
(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol	PhytoBank

Chemical Formula

C₁₅H₁₄O₈

Average Mass

322.2690 Da

Monoisotopic Mass

322.06887 Da

IUPAC Name

(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol

Traditional Name

(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol

CAS Registry Number

Not Available

SMILES

O[C@@H]1CC2=C(O)C(O)=C(O)C(O)=C2O[C@@H]1C1=CC(O)=C(O)C=C1

InChI Identifier

InChI=1S/C15H14O8/c16-7-2-1-5(3-8(7)17)14-9(18)4-6-10(19)11(20)12(21)13(22)15(6)23-14/h1-3,9,14,16-22H,4H2/t9-,14-/m1/s1

InChI Key

PONGJRZSHJPTOF-YMTOWFKASA-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
Garcinia dulcis	LOTUS Database	35616633
Pinalia floribunda	LOTUS Database	35616633
Wisteria floribunda	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Catechins

Alternative Parents

Substituents

Catechin
3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
6-hydroxyflavonoid
7-hydroxyflavonoid
8-hydroxyflavonoid
Hydroxyflavonoid
1-benzopyran
Chromane
Benzopyran
Catechol
1-hydroxy-4-unsubstituted benzenoid
Phenol
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Secondary alcohol
Ether
Polyol
Organoheterocyclic compound
Oxacycle
Alcohol
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	0.71	ALOGPS
logP	1.19	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	8.9	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	150.84 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	77.96 m³·mol⁻¹	ChemAxon
Polarizability	30.23 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	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

11500740

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-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,6,7,8-pentol (NP0247635)

MOL for NP0247635 ((2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,6,7,8-pentol)

3D MOL for NP0247635 ((2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,6,7,8-pentol)

3D SDF for NP0247635 ((2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,6,7,8-pentol)

3D-SDF for NP0247635 ((2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,6,7,8-pentol)

PDB for NP0247635 ((2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,6,7,8-pentol)

3D PDB for NP0247635 ((2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,6,7,8-pentol)

SMILES for NP0247635 ((2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,6,7,8-pentol)

INCHI for NP0247635 ((2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,6,7,8-pentol)

Structure for NP0247635 ((2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,6,7,8-pentol)

3D Structure for NP0247635 ((2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,6,7,8-pentol)