NP-MRD: Showing NP-Card for Griffipavixanthone (NP0074541)

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Record Information

Version

2.0

Created at

2022-04-28 19:49:39 UTC

Updated at

2022-04-28 19:49:39 UTC

NP-MRD ID

NP0074541

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Griffipavixanthone

Description

Griffipavixanthone 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. Griffipavixanthone is found in Garcinia griffithii and Garcinia virgata. Griffipavixanthone was first documented in 2016 (PMID: 26646323). Based on a literature review a small amount of articles have been published on Griffipavixanthone (PMID: 31984782) (PMID: 30566336) (PMID: 30259331) (PMID: 28942643).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282221492D          

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M  END

     RDKit          3D

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M  END


  Mrv1652304282221492D          

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    3.3456   -0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1526   -0.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4075   -1.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8555   -2.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7122   -3.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4489   -2.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7046   -0.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811   -3.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6666   -3.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6666   -4.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811   -5.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0955   -4.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0955   -3.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -5.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811   -6.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9521   -5.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2377   -4.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2377   -3.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9521   -3.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1675   -3.2780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4768   -3.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1913   -3.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1913   -4.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4768   -5.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9058   -5.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4768   -2.7080    0.0000 O   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  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 10 12  2  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
  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
  4 18  1  0  0  0  0
  3 19  1  0  0  0  0
  2 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22  1  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 24 29  1  0  0  0  0
 20 30  1  1  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 30 35  1  0  0  0  0
 34 36  1  0  0  0  0
 33 37  1  0  0  0  0
 32 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 31 41  1  0  0  0  0
 41 42  2  0  0  0  0
 40 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 39 46  2  0  0  0  0
 45 47  1  0  0  0  0
 43 48  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0074541

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C[C@@H]2[C@H]([C@H](C3=C(O)C(O)=C4OC5=CC(O)=CC(O)=C5C(=O)C4=C23)C2=C3C(=O)C4=C(O)C=C(O)C=C4OC3=C(O)C(O)=C2)C(C)(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C36H28O12/c1-11-4-15-21-26(32(45)33(46)35-27(21)31(44)25-17(40)6-13(38)8-20(25)48-35)22(28(15)36(2,3)10-11)14-9-18(41)29(42)34-23(14)30(43)24-16(39)5-12(37)7-19(24)47-34/h4-9,15,22,28,37-42,45-46H,10H2,1-3H3/t15-,22-,28+/m0/s1

> <INCHI_KEY>
KAPVRSRPLHVWCH-DABBQTFLSA-N

> <FORMULA>
C36H28O12

> <MOLECULAR_WEIGHT>
652.608

> <EXACT_MASS>
652.158076342

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
67.10058630153148

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,8R,9S)-11,12,17,19-tetrahydroxy-5,7,7-trimethyl-9-(3,4,6,8-tetrahydroxy-9-oxo-9H-xanthen-1-yl)-14-oxapentacyclo[11.8.0.0^{2,10}.0^{3,8}.0^{15,20}]henicosa-1,4,10,12,15,17,19-heptaen-21-one

> <ALOGPS_LOGP>
4.64

> <JCHEM_LOGP>
6.713976112666666

> <ALOGPS_LOGS>
-4.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.337588357961271

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.909231152596589

> <JCHEM_PKA_STRONGEST_BASIC>
-5.379787736761947

> <JCHEM_POLAR_SURFACE_AREA>
214.43999999999997

> <JCHEM_REFRACTIVITY>
171.8659

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.13e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3R,8R,9S)-11,12,17,19-tetrahydroxy-5,7,7-trimethyl-9-(3,4,6,8-tetrahydroxy-9-oxoxanthen-1-yl)-14-oxapentacyclo[11.8.0.0^{2,10}.0^{3,8}.0^{15,20}]henicosa-1,4,10,12,15,17,19-heptaen-21-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       3.675  -2.685   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.199  -4.150   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.692  -4.470   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.662  -3.325   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.138  -1.861   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.644  -1.541   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.120  -0.076   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.626   0.244   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       2.090   1.068   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.583   0.748   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.107  -0.716   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -0.447   1.893   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.029   3.357   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.535   3.678   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.566   2.533   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.072   2.853   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -1.002   4.502   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -0.844  -3.646   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       1.217  -5.934   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.445  -5.055   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.691  -4.150   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.215  -2.685   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.245  -1.541   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.751  -1.861   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.227  -3.325   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.197  -4.470   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.929  -5.986   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.305  -5.540   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.782  -0.716   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.445  -6.595   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.111  -7.365   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.111  -8.905   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.445  -9.675   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.778  -8.905   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.778  -7.365   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       7.112  -9.675   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       4.445 -11.215   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       1.777  -9.675   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       0.444  -8.905   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       0.444  -7.365   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       1.777  -6.595   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       0.313  -6.119   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -0.890  -6.595   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -2.224  -7.365   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -2.224  -8.905   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -0.890  -9.675   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      -3.557  -9.675   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0      -0.890  -5.055   0.000  0.00  0.00           O+0
CONECT    1    2    6   22                                                  
CONECT    2    1    3   20                                                  
CONECT    3    2    4   19                                                  
CONECT    4    3    5   18                                                  
CONECT    5    4    6   11                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   15                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10    5                                                       
CONECT   12   10   13                                                       
CONECT   13   12   14   17                                                  
CONECT   14   13   15                                                       
CONECT   15   14    9   16                                                  
CONECT   16   15                                                            
CONECT   17   13                                                            
CONECT   18    4                                                            
CONECT   19    3                                                            
CONECT   20    2   21   30                                                  
CONECT   21   20   22   26                                                  
CONECT   22   21    1   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   21   27   28                                             
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   24                                                            
CONECT   30   20   31   35                                                  
CONECT   31   30   32   41                                                  
CONECT   32   31   33   38                                                  
CONECT   33   32   34   37                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34   30                                                       
CONECT   36   34                                                            
CONECT   37   33                                                            
CONECT   38   32   39                                                       
CONECT   39   38   40   46                                                  
CONECT   40   39   41   43                                                  
CONECT   41   40   31   42                                                  
CONECT   42   41                                                            
CONECT   43   40   44   48                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46   47                                                  
CONECT   46   45   39                                                       
CONECT   47   45                                                            
CONECT   48   43                                                            
MASTER        0    0    0    0    0    0    0    0   48    0  110    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₂₈O₁₂

Average Mass

652.6080 Da

Monoisotopic Mass

652.15808 Da

IUPAC Name

(3R,8R,9S)-11,12,17,19-tetrahydroxy-5,7,7-trimethyl-9-(3,4,6,8-tetrahydroxy-9-oxo-9H-xanthen-1-yl)-14-oxapentacyclo[11.8.0.0^{2,10}.0^{3,8}.0^{15,20}]henicosa-1,4,10,12,15,17,19-heptaen-21-one

Traditional Name

(3R,8R,9S)-11,12,17,19-tetrahydroxy-5,7,7-trimethyl-9-(3,4,6,8-tetrahydroxy-9-oxoxanthen-1-yl)-14-oxapentacyclo[11.8.0.0^{2,10}.0^{3,8}.0^{15,20}]henicosa-1,4,10,12,15,17,19-heptaen-21-one

CAS Registry Number

Not Available

SMILES

CC1=C[C@@H]2[C@H]([C@H](C3=C(O)C(O)=C4OC5=CC(O)=CC(O)=C5C(=O)C4=C23)C2=C3C(=O)C4=C(O)C=C(O)C=C4OC3=C(O)C(O)=C2)C(C)(C)C1

InChI Identifier

InChI=1S/C36H28O12/c1-11-4-15-21-26(32(45)33(46)35-27(21)31(44)25-17(40)6-13(38)8-20(25)48-35)22(28(15)36(2,3)10-11)14-9-18(41)29(42)34-23(14)30(43)24-16(39)5-12(37)7-19(24)47-34/h4-9,15,22,28,37-42,45-46H,10H2,1-3H3/t15-,22-,28+/m0/s1

InChI Key

KAPVRSRPLHVWCH-DABBQTFLSA-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
Garcinia griffithii	Plant	KNApSAcK
Garcinia virgata	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
Fluorene
Chromone
Indane
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Benzenoid
Pyran
Heteroaromatic compound
Vinylogous acid
Oxacycle
Polyol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
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	4.64	ALOGPS
logP	6.71	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	6.91	ChemAxon
pKa (Strongest Basic)	-5.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	214.44 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	171.87 m³·mol⁻¹	ChemAxon
Polarizability	67.1 Å³	ChemAxon
Number of Rings	8	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

C00035833

Chemspider ID

107562735

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15884596

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Lien Do TM, Duong TH, Nguyen VK, Phuwapraisirisan P, Doungwichitrkul T, Niamnont N, Jarupinthusophon S, Sichaem J: Schomburgkixanthone, a novel bixanthone from the twigs of Garcinia schomburgkiana. Nat Prod Res. 2021 Nov;35(21):3613-3618. doi: 10.1080/14786419.2020.1716351. Epub 2020 Jan 25. [PubMed:31984782 ]
Smith MJ, Reichl KD, Escobar RA, Heavey TJ, Coker DF, Schaus SE, Porco JA Jr: Asymmetric Synthesis of Griffipavixanthone Employing a Chiral Phosphoric Acid-Catalyzed Cycloaddition. J Am Chem Soc. 2019 Jan 9;141(1):148-153. doi: 10.1021/jacs.8b12520. Epub 2018 Dec 26. [PubMed:30566336 ]
Ma Y, Wang Y, Song B: Griffipavixanthone induces apoptosis of human breast cancer MCF-7 cells in vitro. Breast Cancer. 2019 Mar;26(2):190-197. doi: 10.1007/s12282-018-0912-2. Epub 2018 Sep 26. [PubMed:30259331 ]
Reichl KD, Smith MJ, Song MK, Johnson RP, Porco JA Jr: Biomimetic Total Synthesis of (+/-)-Griffipavixanthone via a Cationic Cycloaddition-Cyclization Cascade. J Am Chem Soc. 2017 Oct 11;139(40):14053-14056. doi: 10.1021/jacs.7b09265. Epub 2017 Oct 2. [PubMed:28942643 ]
Ding Z, Lao Y, Zhang H, Fu W, Zhu L, Tan H, Xu H: Griffipavixanthone, a dimeric xanthone extracted from edible plants, inhibits tumor metastasis and proliferation via downregulation of the RAF pathway in esophageal cancer. Oncotarget. 2016 Jan 12;7(2):1826-37. doi: 10.18632/oncotarget.6484. [PubMed:26646323 ]

Showing NP-Card for Griffipavixanthone (NP0074541)

MOL for NP0074541 (Griffipavixanthone)

3D MOL for NP0074541 (Griffipavixanthone)

3D SDF for NP0074541 (Griffipavixanthone)

3D-SDF for NP0074541 (Griffipavixanthone)

PDB for NP0074541 (Griffipavixanthone)

3D PDB for NP0074541 (Griffipavixanthone)

SMILES for NP0074541 (Griffipavixanthone)

INCHI for NP0074541 (Griffipavixanthone)

Structure for NP0074541 (Griffipavixanthone)

3D Structure for NP0074541 (Griffipavixanthone)