NP-MRD: Showing NP-Card for 1,7-Dihydroxy-3,8-dimethoxyxantone (NP0051692)

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Record Information

Version

2.0

Created at

2022-04-27 22:57:52 UTC

Updated at

2022-04-27 22:57:52 UTC

NP-MRD ID

NP0051692

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1,7-Dihydroxy-3,8-dimethoxyxantone

Description

Gentiacaulein belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. 1,7-Dihydroxy-3,8-dimethoxyxantone is found in Gentiana acaulis, Gentiana barbata, Gentiana bavarica, Gentiana brachyphylla, Gentiana ciliata, Gentiana detonsa, Gentiana favrati, Gentiana karelinii, Gentiana kochiana , Gentiana nivalis, Gentiana rostanii, Gentiana schleicheri, Gentiana utriculosa, Gentiana verna, Gentianopsis lanceolata, Gentianopsis paludosa, Haploclathra leiantha, Haploclathra paniculata, Swertia dilatata, Swertia gracilescens, Swertia nervosa, Swertia perennis, Swertia punicea, Swertia racemosa and Swertia speciosa. 1,7-Dihydroxy-3,8-dimethoxyxantone was first documented in 2003 (PMID: 14531031). Gentiacaulein is an extremely weak basic (essentially neutral) compound (based on its pKa) (PMID: 14558348) (PMID: 15646999) (PMID: 25194343).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 33 35  0  0  0  0  0  0  0  0999 V2000
    5.7660    0.1334    0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6801   -0.7389    0.5659 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3703   -0.3764    0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1452    0.8445   -0.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8099    1.1962   -0.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6229    2.4037   -1.1920 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8021    0.3130   -0.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5267    0.5933   -0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8395    1.6759   -1.1205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4657   -0.3589   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8013   -0.0925   -0.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1129    1.1157   -1.1040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3950    2.2283   -0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8016   -1.0205   -0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1199   -0.6957   -0.4911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4600   -2.2207    0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1365   -2.4960    0.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1437   -1.5590    0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1142   -1.7934    0.5642 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0480   -0.9260    0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3662   -1.2535    0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7288   -0.3886    0.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7104    0.5072   -0.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6710    0.9910    0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9573    1.5213   -0.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8380    2.8595   -1.4831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1228    3.1642   -0.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448    2.1494    0.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4993    2.1918   -0.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8659   -1.3403   -0.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2150   -2.9510    0.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8309   -3.4438    1.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5511   -2.2331    1.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 20  7  1  0
 18 10  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  6 26  1  0
 13 27  1  0
 13 28  1  0
 13 29  1  0
 15 30  1  0
 16 31  1  0
 17 32  1  0
 21 33  1  0
M  END


  Mrv1533004171522112D          

 21 23  0  0  0  0            999 V2000
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   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
    1.4289   -1.6500    0.0000 C   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
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   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
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    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
    5.0013   -0.4125    0.0000 O   0  0  0  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
    5.7158   -1.6500    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   -2.4750    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
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 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
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  2  0  0  0  0
  3 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0051692

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O)=C2C(=O)C3=C(OC)C(O)=CC=C3OC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3

> <INCHI_KEY>
WYOSCUWDVFHQFY-UHFFFAOYSA-N

> <FORMULA>
C15H12O6

> <MOLECULAR_WEIGHT>
288.255

> <EXACT_MASS>
288.063388106

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
28.208810905879538

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,8-dihydroxy-1,6-dimethoxy-9H-xanthen-9-one

> <ALOGPS_LOGP>
2.72

> <JCHEM_LOGP>
2.687167045666667

> <ALOGPS_LOGS>
-3.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.684521086796194

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.273924515097683

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7075968256920944

> <JCHEM_POLAR_SURFACE_AREA>
85.22000000000001

> <JCHEM_REFRACTIVITY>
73.70450000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.78e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
gentiacaulein

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   21                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   20                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   18                                                  
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   10   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19    7   21                                                  
CONECT   21   20    3                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

View in JSmol

Synonyms

Value	Source
2,8-Dihydroxy-1,6-dimethoxyxanthone	ChEBI

Chemical Formula

C₁₅H₁₂O₆

Average Mass

288.2550 Da

Monoisotopic Mass

288.06339 Da

IUPAC Name

2,8-dihydroxy-1,6-dimethoxy-9H-xanthen-9-one

Traditional Name

gentiacaulein

CAS Registry Number

Not Available

SMILES

COC1=CC(O)=C2C(=O)C3=C(OC)C(O)=CC=C3OC2=C1

InChI Identifier

InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3

InChI Key

WYOSCUWDVFHQFY-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Gentiana acaulis	LOTUS Database	35616633
Gentiana barbata	Plant	KNApSAcK
Gentiana bavarica	Plant	KNApSAcK
Gentiana brachyphylla	Plant	KNApSAcK
Gentiana ciliata	Plant	KNApSAcK
Gentiana detonsa	Plant	KNApSAcK
Gentiana favrati	Plant	KNApSAcK
Gentiana karelinii	Plant	KNApSAcK
Gentiana kochiana	Plant	KNApSAcK
Gentiana nivalis	Plant	KNApSAcK
Gentiana rostanii	Plant	KNApSAcK
Gentiana schleicheri	Plant	KNApSAcK
Gentiana utriculosa	Plant	KNApSAcK
Gentiana verna	Plant	KNApSAcK
Gentianopsis lanceolata	LOTUS Database	35616633
Gentianopsis paludosa	Plant	KNApSAcK
Haploclathra leiantha	Plant	KNApSAcK
Haploclathra paniculata	Plant	KNApSAcK
Swertia dilatata	Plant	KNApSAcK
Swertia gracilescens	Plant	KNApSAcK
Swertia nervosa	Plant	KNApSAcK
Swertia perennis	Plant	KNApSAcK
Swertia punicea	Plant	KNApSAcK
Swertia racemosa	Plant	KNApSAcK
Swertia speciosa	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthones

Alternative Parents

Substituents

Xanthone
Chromone
Anisole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Pyranone
Pyran
Benzenoid
Heteroaromatic compound
Vinylogous ester
Vinylogous acid
Ether
Oxacycle
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

aromatic ether (CHEBI:5313 )
polyphenol (CHEBI:5313 )
xanthones (CHEBI:5313 )
xanthenes (C10064 )

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	2.72	ALOGPS
logP	2.69	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	8.27	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	85.22 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	73.7 m³·mol⁻¹	ChemAxon
Polarizability	28.21 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

C00002952

Chemspider ID

Not Available

KEGG Compound ID

C10064

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5281634

PDB ID

Not Available

ChEBI ID

5313

Good Scents ID

Not Available

References

General References

Chericoni S, Testai L, Calderone V, Flamini G, Nieri P, Morelli I, Martinotti E: The xanthones gentiacaulein and gentiakochianin are responsible for the vasodilator action of the roots of Gentiana kochiana. Planta Med. 2003 Aug;69(8):770-2. doi: 10.1055/s-2003-42784. [PubMed:14531031 ]
Nikolaev SM, Sambueva ZG, Tsyrenzhapov AV, Nikolaeva GG, Tankhaeva LM, Glyzin VI, Dargaeva TD: [Comparative choleretic properties of natural xanthone compounds from Gentianopsis barbata]. Eksp Klin Farmakol. 2003 Jul-Aug;66(4):29-31. [PubMed:14558348 ]
Hirakawa K, Yoshida M, Nagatsu A, Mizukami H, Rana V, Rawat MS, Oikawa S, Kawanishi S: Chemopreventive action of xanthone derivatives on photosensitized DNA damage. Photochem Photobiol. 2005 Mar-Apr;81(2):314-9. doi: 10.1562/2004-07-29-RA-252. [PubMed:15646999 ]
Dar AA, Sangwan PL, Khan I, Gupta N, Qaudri A, Tasduq SA, Kitchlu S, Kumar A, Koul S: Simultaneous quantification of eight bioactive secondary metabolites from Codonopsis ovata by validated high performance thin layer chromatography and their antioxidant profile. J Pharm Biomed Anal. 2014 Nov;100:300-308. doi: 10.1016/j.jpba.2014.07.034. Epub 2014 Aug 7. [PubMed:25194343 ]

Showing NP-Card for 1,7-Dihydroxy-3,8-dimethoxyxantone (NP0051692)

MOL for NP0051692 (1,7-Dihydroxy-3,8-dimethoxyxantone)

3D MOL for NP0051692 (1,7-Dihydroxy-3,8-dimethoxyxantone)

3D SDF for NP0051692 (1,7-Dihydroxy-3,8-dimethoxyxantone)

3D-SDF for NP0051692 (1,7-Dihydroxy-3,8-dimethoxyxantone)

PDB for NP0051692 (1,7-Dihydroxy-3,8-dimethoxyxantone)

3D PDB for NP0051692 (1,7-Dihydroxy-3,8-dimethoxyxantone)

SMILES for NP0051692 (1,7-Dihydroxy-3,8-dimethoxyxantone)

INCHI for NP0051692 (1,7-Dihydroxy-3,8-dimethoxyxantone)

Structure for NP0051692 (1,7-Dihydroxy-3,8-dimethoxyxantone)

3D Structure for NP0051692 (1,7-Dihydroxy-3,8-dimethoxyxantone)