NP-MRD: Showing NP-Card for 2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol (NP0158972)

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Record Information

Version

2.0

Created at

2022-09-02 16:38:59 UTC

Updated at

2022-09-02 16:38:59 UTC

NP-MRD ID

NP0158972

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

Description

2-(3,4-Dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 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. 2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol is found in Prosopis glandulosa. Based on a literature review very few articles have been published on 2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022218392D          

 63 71  0  0  0  0            999 V2000
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M  END

     RDKit          3D

101109  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309022218392D          

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M  END
> <DATABASE_ID>
NP0158972

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1CC2=C(OC1C1=CC=C(O)C(O)=C1)C(=C(O)C(=C2O)C1=C2CC(O)C(OC2=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C2=C1CC(O)C(O2)C1=CC=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C45H38O18/c46-23-4-1-15(7-26(23)49)40-33(56)14-22-36(57)34(18-10-29(52)37(58)44-20(18)12-31(54)41(62-44)16-2-5-24(47)27(50)8-16)39(60)35(43(22)61-40)19-11-30(53)38(59)45-21(19)13-32(55)42(63-45)17-3-6-25(48)28(51)9-17/h1-11,31-33,40-42,46-60H,12-14H2

> <INCHI_KEY>
MALMHZVHEDOARE-UHFFFAOYSA-N

> <FORMULA>
C45H38O18

> <MOLECULAR_WEIGHT>
866.781

> <EXACT_MASS>
866.205814384

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_ATOM_COUNT>
101

> <JCHEM_AVERAGE_POLARIZABILITY>
85.70828913457191

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
15

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <ALOGPS_LOGP>
3.04

> <JCHEM_LOGP>
4.733280138

> <ALOGPS_LOGS>
-4.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.05306117833168

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.664637730960402

> <JCHEM_PKA_STRONGEST_BASIC>
-5.449588697592213

> <JCHEM_POLAR_SURFACE_AREA>
331.14

> <JCHEM_REFRACTIVITY>
220.15550000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.59e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  O   UNK     0     -13.337   9.240   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0     -12.003   8.470   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -10.669   9.240   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -9.336   8.470   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -9.336   6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -8.002   6.160   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -6.668   6.930   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -5.335   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -4.001   8.470   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -6.668   2.310   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.000   1.540   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       8.002   4.620   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       8.002   1.540   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       2.667  -0.000   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      -5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      -6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      -8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      -8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      -8.002   4.620   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0      -9.336   3.850   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0     -10.669   6.160   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0     -12.003   6.930   0.000  0.00  0.00           C+0
HETATM   63  O   UNK     0     -13.337   6.160   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   62                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   61                                                  
CONECT    6    5    7   59                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   57                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   57                                                  
CONECT   15   14   16   42                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   56                                                  
CONECT   19   18   20   44                                                  
CONECT   20   19   21   42                                                  
CONECT   21   20   22   28                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   41                                                  
CONECT   28   27   21   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   41                                                  
CONECT   33   32   34   40                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   33                                                       
CONECT   41   32   27                                                       
CONECT   42   20   15   43                                                  
CONECT   43   42                                                            
CONECT   44   19   45                                                       
CONECT   45   44   46   54                                                  
CONECT   46   45   47   53                                                  
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   46                                                       
CONECT   54   45   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54   18                                                       
CONECT   57   14    8   58                                                  
CONECT   58   57   59                                                       
CONECT   59   58    6   60                                                  
CONECT   60   59                                                            
CONECT   61    5   62                                                       
CONECT   62   61    2   63                                                  
CONECT   63   62                                                            
MASTER        0    0    0    0    0    0    0    0   63    0  142    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₅H₃₈O₁₈

Average Mass

866.7810 Da

Monoisotopic Mass

866.20581 Da

IUPAC Name

2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

Traditional Name

2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

CAS Registry Number

Not Available

SMILES

OC1CC2=C(OC1C1=CC=C(O)C(O)=C1)C(=C(O)C(=C2O)C1=C2CC(O)C(OC2=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C2=C1CC(O)C(O2)C1=CC=C(O)C(O)=C1

InChI Identifier

InChI=1S/C45H38O18/c46-23-4-1-15(7-26(23)49)40-33(56)14-22-36(57)34(18-10-29(52)37(58)44-20(18)12-31(54)41(62-44)16-2-5-24(47)27(50)8-16)39(60)35(43(22)61-40)19-11-30(53)38(59)45-21(19)13-32(55)42(63-45)17-3-6-25(48)28(51)9-17/h1-11,31-33,40-42,46-60H,12-14H2

InChI Key

MALMHZVHEDOARE-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
Prosopis glandulosa	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
7-hydroxyflavonoid
8-hydroxyflavonoid
Hydroxyflavonoid
Biphenol
Chromane
1-benzopyran
Benzopyran
Catechol
1-hydroxy-4-unsubstituted benzenoid
Phenol
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
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	3.04	ALOGPS
logP	4.73	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	8.66	ChemAxon
pKa (Strongest Basic)	-5.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	18	ChemAxon
Hydrogen Donor Count	15	ChemAxon
Polar Surface Area	331.14 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	220.16 m³·mol⁻¹	ChemAxon
Polarizability	85.71 Å³	ChemAxon
Number of Rings	9	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

162903072

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)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol (NP0158972)

MOL for NP0158972 (2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

3D MOL for NP0158972 (2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

3D SDF for NP0158972 (2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

3D-SDF for NP0158972 (2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

PDB for NP0158972 (2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

3D PDB for NP0158972 (2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

SMILES for NP0158972 (2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

INCHI for NP0158972 (2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

Structure for NP0158972 (2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

3D Structure for NP0158972 (2-(3,4-dihydroxyphenyl)-6,8-bis[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)