NP-MRD: Showing NP-Card for 2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3,7,8-triol (NP0297103)

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Record Information

Version

2.0

Created at

2022-09-10 07:08:11 UTC

Updated at

2022-09-10 07:08:11 UTC

NP-MRD ID

NP0297103

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3,7,8-triol

Description

2-(3,4-Dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3,7,8-triol belongs to the class of organic compounds known as leucoanthocyanidins. These are flavonoids consisting of a flavan (3,4-dihydro-2-phenyl-2H-1-benzopyran) moiety that carries two hydroxy groups at the C3- and C4-positions. 2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3,7,8-triol is found in Acacia melanoxylon. 2-(3,4-Dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3,7,8-triol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161522532D          

 43 48  0  0  0  0            999 V2000
    1.3229    1.3237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 43  2  0  0  0  0
 36 43  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004161522532D          

 43 48  0  0  0  0            999 V2000
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    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   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  1  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
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  5 17  1  0  0  0  0
 10 17  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 18 25  1  0  0  0  0
  3 26  1  0  0  0  0
 26 27  2  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
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 26 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
  2 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
 36 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0297103

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1C(OC2C(O)C(OC3=C(O)C(O)=CC=C23)C2=CC=C(O)C(O)=C2)C2=CC=C(O)C(O)=C2OC1C1=CC=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H26O13/c31-15-5-1-11(9-19(15)35)25-23(39)29(13-3-7-17(33)21(37)27(13)41-25)43-30-14-4-8-18(34)22(38)28(14)42-26(24(30)40)12-2-6-16(32)20(36)10-12/h1-10,23-26,29-40H

> <INCHI_KEY>
KBCIHRRYAIBEDE-UHFFFAOYSA-N

> <FORMULA>
C30H26O13

> <MOLECULAR_WEIGHT>
594.525

> <EXACT_MASS>
594.137340897

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
58.48922022839133

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3,7,8-triol

> <ALOGPS_LOGP>
2.50

> <JCHEM_LOGP>
2.9139253089999997

> <ALOGPS_LOGS>
-3.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.142260743799541

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.706334936546835

> <JCHEM_PKA_STRONGEST_BASIC>
-5.436828013672213

> <JCHEM_POLAR_SURFACE_AREA>
229.98999999999995

> <JCHEM_REFRACTIVITY>
146.90429999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.20e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3,7,8-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  O   UNK     0       2.469   2.471   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.667  -3.080   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       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -0.000   1.540   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       5.335   4.620   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -0.000   4.620   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -0.000   6.160   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       1.334   8.470   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   35                                                  
CONECT    3    2    4   26                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   17                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   18                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   17                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16    5   10                                                  
CONECT   18    8   19   25                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   18                                                       
CONECT   26    3   27   33                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   26   34                                                  
CONECT   34   33   35                                                       
CONECT   35   34    2   36                                                  
CONECT   36   35   37   43                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   36                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₂₆O₁₃

Average Mass

594.5250 Da

Monoisotopic Mass

594.13734 Da

IUPAC Name

2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3,7,8-triol

Traditional Name

2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3,7,8-triol

CAS Registry Number

Not Available

SMILES

OC1C(OC2C(O)C(OC3=C(O)C(O)=CC=C23)C2=CC=C(O)C(O)=C2)C2=CC=C(O)C(O)=C2OC1C1=CC=C(O)C(O)=C1

InChI Identifier

InChI=1S/C30H26O13/c31-15-5-1-11(9-19(15)35)25-23(39)29(13-3-7-17(33)21(37)27(13)41-25)43-30-14-4-8-18(34)22(38)28(14)42-26(24(30)40)12-2-6-16(32)20(36)10-12/h1-10,23-26,29-40H

InChI Key

KBCIHRRYAIBEDE-UHFFFAOYSA-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
Acacia melanoxylon	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as leucoanthocyanidins. These are flavonoids consisting of a flavan (3,4-dihydro-2-phenyl-2H-1-benzopyran) moiety that carries two hydroxy groups at the C3- and C4-positions.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Leucoanthocyanidins

Alternative Parents

Substituents

Leucoanthocyanidin-skeleton
3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
7-hydroxyflavonoid
8-hydroxyflavonoid
Hydroxyflavonoid
1-benzopyran
Chromane
Benzopyran
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Benzenoid
Monocyclic benzene moiety
Secondary alcohol
Polyol
Organoheterocyclic compound
Oxacycle
Ether
Dialkyl ether
Organooxygen compound
Hydrocarbon derivative
Alcohol
Organic oxygen 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	2.5	ALOGPS
logP	2.91	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	8.71	ChemAxon
pKa (Strongest Basic)	-5.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	229.99 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	146.9 m³·mol⁻¹	ChemAxon
Polarizability	58.49 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

14463819

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3,7,8-triol (NP0297103)

MOL for NP0297103 (2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

3D MOL for NP0297103 (2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

3D SDF for NP0297103 (2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

3D-SDF for NP0297103 (2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

PDB for NP0297103 (2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

3D PDB for NP0297103 (2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

SMILES for NP0297103 (2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

INCHI for NP0297103 (2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

Structure for NP0297103 (2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

3D Structure for NP0297103 (2-(3,4-dihydroxyphenyl)-4-{[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)