NP-MRD: Showing NP-Card for isoxanthochymol (NP0232690)

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Record Information

Version

2.0

Created at

2022-09-06 14:00:34 UTC

Updated at

2022-09-06 14:00:34 UTC

NP-MRD ID

NP0232690

Secondary Accession Numbers

None

Natural Product Identification

Common Name

isoxanthochymol

Description

Isoxanthochymol belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. isoxanthochymol is found in Garcinia indica, Garcinia intermedia, Garcinia livingstonei, Garcinia multiflora, Garcinia ovalifolia, Garcinia subelliptica and Garcinia xanthochymus. isoxanthochymol was first documented in 2018 (PMID: 30308951). Based on a literature review a small amount of articles have been published on Isoxanthochymol (PMID: 33185634) (PMID: 34829884) (PMID: 32749545) (PMID: 30808434).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062216002D          

 44 47  0  0  1  0            999 V2000
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M  END

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M  END


  Mrv1652309062216002D          

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    2.0935    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4391   -0.1201    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9642    0.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    0.7613    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1044    1.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8418    2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0351    2.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7813    3.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4821    1.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828    0.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1024   -0.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1157    0.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9271   -0.6498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0702   -0.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7427   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2407   -2.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0264   -2.5504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7869   -2.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1605   -3.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7103   -4.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8865   -4.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4363   -4.9962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5129   -3.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6891   -3.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -2.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8867   -1.4425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8123   -0.4799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2295   -1.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1211   -2.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3622   -2.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2975   -1.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2631   -3.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490   -0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6376   -1.3748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9609   -0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -0.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0833    0.2860    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
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 24 31  1  0  0  0  0
 21 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  1  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 34 40  1  0  0  0  0
  8 40  1  6  0  0  0
 40 41  2  0  0  0  0
 34 42  1  0  0  0  0
  6 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0232690

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CC[C@@H]1C[C@]23C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)C4=CC=C(O)C(O)=C4)=C2OC1(C)C)C3=O

> <INCHI_IDENTIFIER>
InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27+,37+,38+/m0/s1

> <INCHI_KEY>
KXTNVBQRLRYVCO-MWVHARJDSA-N

> <FORMULA>
C38H50O6

> <MOLECULAR_WEIGHT>
602.812

> <EXACT_MASS>
602.36073933

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
94

> <JCHEM_AVERAGE_POLARIZABILITY>
68.2493133564358

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,3R,9S,11S)-7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.0^{1,6}]tridec-6-ene-8,13-dione

> <JCHEM_LOGP>
8.726592744333335

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.79456557326453

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.4708573605723645

> <JCHEM_PKA_STRONGEST_BASIC>
-4.887991364871723

> <JCHEM_POLAR_SURFACE_AREA>
100.9

> <JCHEM_REFRACTIVITY>
179.05550000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3R,9S,11S)-7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.0^{1,6}]tridec-6-ene-8,13-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.843   4.827   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.606   5.350   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.877   6.866   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.783   4.357   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.504   2.797   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.353   1.384   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.908   1.290   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.553  -0.224   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.533   1.161   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.091   1.421   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.662   2.971   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.171   4.488   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.665   4.810   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.192   6.276   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.633   3.667   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.995   0.181   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.525  -0.324   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.549   0.760   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       7.331  -1.213   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.731  -1.349   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.120  -2.789   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.049  -4.154   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       7.516  -4.761   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       5.202  -5.455   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.900  -6.828   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.059  -8.118   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.521  -8.036   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       2.681  -9.326   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       2.824  -6.663   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       1.286  -6.580   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       3.664  -5.372   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.522  -2.693   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       3.117  -4.325   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       3.383  -0.896   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.295  -2.116   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.093  -3.788   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       0.676  -4.393   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -0.555  -3.468   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       0.491  -5.921   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       2.705  -1.479   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       1.190  -2.566   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       1.794  -0.097   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       0.117  -0.082   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       0.156   0.534   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   42                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   20   40                                             
CONECT    9    8   10                                                       
CONECT   10    9   11   16                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   10   17   18   19                                             
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   16   20                                                       
CONECT   20   19    8   21                                                  
CONECT   21   20   22   32                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   31                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   24                                                       
CONECT   32   21   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   40   42                                             
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   34    8   41                                                  
CONECT   41   40                                                            
CONECT   42   34    6   43   44                                             
CONECT   43   42                                                            
CONECT   44   42                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₈H₅₀O₆

Average Mass

602.8120 Da

Monoisotopic Mass

602.36074 Da

IUPAC Name

(1R,3R,9S,11S)-7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.0^{1,6}]tridec-6-ene-8,13-dione

Traditional Name

(1R,3R,9S,11S)-7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.0^{1,6}]tridec-6-ene-8,13-dione

CAS Registry Number

Not Available

SMILES

CC(C)=CC[C@@H]1C[C@]23C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)C4=CC=C(O)C(O)=C4)=C2OC1(C)C)C3=O

InChI Identifier

InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27+,37+,38+/m0/s1

InChI Key

KXTNVBQRLRYVCO-MWVHARJDSA-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 indica	LOTUS Database	35616633
Garcinia intermedia	LOTUS Database	35616633
Garcinia livingstonei	LOTUS Database	35616633
Garcinia multiflora	LOTUS Database	35616633
Garcinia ovalifolia	LOTUS Database	35616633
Garcinia subelliptica	LOTUS Database	35616633
Garcinia xanthochymus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Aromatic monoterpenoids

Alternative Parents

Substituents

Aromatic monoterpenoid
Benzoyl
Catechol
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Cyclohexenone
Phenol
Monocyclic benzene moiety
Oxane
Benzenoid
Vinylogous ester
Ketone
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
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	8.73	ChemAxon
pKa (Strongest Acidic)	7.47	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	100.9 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	179.06 m³·mol⁻¹	ChemAxon
Polarizability	68.25 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00042642

Chemspider ID

8636658

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10461245

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Xu J, Jin S, Gan F, Xiong H, Mei Z, Chen Y, Yang G: Polycyclic polyprenylated acylphloroglucinols from Garcinia xanthochymus fruits exhibit antitumor effects through inhibition of the STAT3 signaling pathway. Food Funct. 2020 Dec 1;11(12):10568-10579. doi: 10.1039/d0fo02535f. Epub 2020 Nov 13. [PubMed:33185634 ]
Pasaribu YP, Fadlan A, Fatmawati S, Ersam T: Biological Activity Evaluation and In Silico Studies of Polyprenylated Benzophenones from Garcinia celebica. Biomedicines. 2021 Nov 10;9(11):1654. doi: 10.3390/biomedicines9111654. [PubMed:34829884 ]
Li M, Li X, Yang L: Cardioprotective effects of garcinol following myocardial infarction in rats with isoproterenol-induced heart failure. AMB Express. 2020 Aug 4;10(1):137. doi: 10.1186/s13568-020-01065-9. [PubMed:32749545 ]
Kureshi AA, Dholakiya C, Hussain T, Mirgal A, Salvi SP, Barua PC, Talukdar M, Beena C, Kar A, Zachariah TJ, Kumari P, Dhanani T, Singh R, Manivel P, Kumar S: Simultaneous Identification and Quantification of Three Xanthones and Two Polyisoprenylated Benzophenones in Eight Indian Garcinia Species Using a Validated UHPLC-PDA Method. J AOAC Int. 2019 Sep 1;102(5):1423-1434. doi: 10.5740/jaoacint.18-0335. Epub 2019 Feb 26. [PubMed:30808434 ]
Cheng LY, Tsai YC, Fu SL, Cheng MJ, Sung PJ, Chung MI, Chen JJ: Acylphloroglucinol Derivatives from Garcinia multiflora with Anti-Inflammatory Effect in LPS-Induced RAW264.7 Macrophages. Molecules. 2018 Oct 10;23(10):2587. doi: 10.3390/molecules23102587. [PubMed:30308951 ]
LOTUS database [Link]

Showing NP-Card for isoxanthochymol (NP0232690)

MOL for NP0232690 (isoxanthochymol)

3D MOL for NP0232690 (isoxanthochymol)

3D SDF for NP0232690 (isoxanthochymol)

3D-SDF for NP0232690 (isoxanthochymol)

PDB for NP0232690 (isoxanthochymol)

3D PDB for NP0232690 (isoxanthochymol)

SMILES for NP0232690 (isoxanthochymol)

INCHI for NP0232690 (isoxanthochymol)

Structure for NP0232690 (isoxanthochymol)

3D Structure for NP0232690 (isoxanthochymol)