NP-MRD: Showing NP-Card for Galangin (NP0043878)

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Record Information

Version

1.0

Created at

2021-06-22 17:27:09 UTC

Updated at

2021-08-20 00:00:47 UTC

NP-MRD ID

NP0043878

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Galangin

Description

Norizalpinin, also known as teptochrysin or galangin, belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, norizalpinin is considered to be a flavonoid. Norizalpinin is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Galangin is found in Acacia neovernicosa, Achyrocline satureioides, Adenostoma sparsifolium, Alnus sieboldiana, Alnus alnobetula, Alpinia conchigera, Apis mellifera, Callitris columellaris, Chrysanthemum morifolium, Citrus sinensis, Dennstaedtia scabra, Endosamara racemosa, Entada phaseoloides, Gaga kaulfussii, Glycyrrhiza uralensis, Hedychium spicatum, Heliotropium subulatum, Heliotropium taltalense, Lippia graveolens, Lychnophora ericoides, Muntingia calabura, Notholaena candida, Origanum akhadarense, Origanum boissieri, Origanum hypercifolium, Origanum micranthum, Origanum pampaninii, Origanum vulgare , Pinus morrisonicola, Populus alba, Populus balsamifera, Populus canadensis, Populus cathayana, Populus deltoides, Populus laurifolia, Populus simonii, Populus suaveolens, Populus trichocarpa, Scutellaria baicalensis, Taxus yunnanensis, Trichostema lanatum, Zingiber mioga , Zingiber officinale and Zuccagnia punctata. It was first documented in 2012 (PMID: 22908567). Based on a literature review a significant number of articles have been published on Norizalpinin (PMID: 27719955) (PMID: 22887049) (PMID: 22985747) (PMID: 23143152).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

NP0043878
     RDKit          3D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.7950   -2.0400    1.9735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2912   -1.2279    1.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1054   -1.1611    1.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8319   -1.9894    1.9260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7041   -0.2920    0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1378   -0.1191    0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    0.8256   -0.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9080    1.0784   -1.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    0.3448   -0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4118   -0.5868    0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -0.8374    0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0935    0.4459   -0.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3876    0.4398   -0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780    1.3085   -1.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4436    1.3095   -1.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1531    2.1758   -2.1976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0996    0.4574   -0.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4252   -0.4246    0.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1385   -1.2448    1.1849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0493   -0.4194    0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4486   -2.6425    2.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8453    1.4074   -1.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2245    1.8155   -1.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8789    0.5085   -0.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1389   -1.1675    1.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072   -1.5842    1.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    1.9626   -1.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4080    3.1168   -1.8672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1735    0.4369   -0.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8668   -1.8965    1.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  5 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20  2  1  0
 11  6  1  0
 20 13  1  0
  4 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 16 28  1  0
 17 29  1  0
 19 30  1  0
M  END


  Mrv1652306222119272D          

 20 22  0  0  0  0            999 V2000
   -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
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    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
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    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
    2.8579   -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
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 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
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 17  1  0  0  0  0
 14 18  1  0  0  0  0
 12 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0043878

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=CC=C2)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H

> <INCHI_KEY>
VCCRNZQBSJXYJD-UHFFFAOYSA-N

> <FORMULA>
C15H10O5

> <MOLECULAR_WEIGHT>
270.2369

> <EXACT_MASS>
270.05282343

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
26.540984943508562

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one

> <ALOGPS_LOGP>
2.39

> <JCHEM_LOGP>
2.7634301073333334

> <ALOGPS_LOGS>
-3.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.955603317080702

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.383248543296597

> <JCHEM_PKA_STRONGEST_BASIC>
-3.877672895331391

> <JCHEM_POLAR_SURFACE_AREA>
86.99000000000001

> <JCHEM_REFRACTIVITY>
72.9004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.17e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
galangin

> <JCHEM_VEBER_RULE>
0

$$$$

NP0043878
     RDKit          3D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.7950   -2.0400    1.9735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2912   -1.2279    1.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1054   -1.1611    1.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8319   -1.9894    1.9260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7041   -0.2920    0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1378   -0.1191    0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    0.8256   -0.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9080    1.0784   -1.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    0.3448   -0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4118   -0.5868    0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -0.8374    0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0935    0.4459   -0.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3876    0.4398   -0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780    1.3085   -1.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4436    1.3095   -1.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1531    2.1758   -2.1976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0996    0.4574   -0.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4252   -0.4246    0.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1385   -1.2448    1.1849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0493   -0.4194    0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4486   -2.6425    2.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8453    1.4074   -1.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2245    1.8155   -1.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8789    0.5085   -0.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1389   -1.1675    1.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072   -1.5842    1.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    1.9626   -1.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4080    3.1168   -1.8672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1735    0.4369   -0.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8668   -1.8965    1.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  5 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20  2  1  0
 11  6  1  0
 20 13  1  0
  4 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 16 28  1  0
 17 29  1  0
 19 30  1  0
M  END

HEADER    PROTEIN                                 22-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-JUN-21         0                                  
HETATM    1  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    4    8   17                                                  
CONECT    8    7    9   20                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   16                                                  
CONECT   12   11   13   19                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   18                                                  
CONECT   15   14   16                                                       
CONECT   16   15   11   17                                                  
CONECT   17   16    7                                                       
CONECT   18   14                                                            
CONECT   19   12                                                            
CONECT   20    8                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END

COMPND    NP0043878
HETATM    1  O1  UNL     1      -1.795  -2.040   1.974  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.291  -1.228   1.171  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.105  -1.161   1.106  1.00  0.00           C  
HETATM    4  O2  UNL     1       0.832  -1.989   1.926  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.704  -0.292   0.247  1.00  0.00           C  
HETATM    6  C4  UNL     1       2.138  -0.119   0.078  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.588   0.826  -0.856  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.908   1.078  -1.105  1.00  0.00           C  
HETATM    9  C7  UNL     1       4.824   0.345  -0.378  1.00  0.00           C  
HETATM   10  C8  UNL     1       4.412  -0.587   0.542  1.00  0.00           C  
HETATM   11  C9  UNL     1       3.056  -0.837   0.789  1.00  0.00           C  
HETATM   12  O3  UNL     1      -0.094   0.446  -0.483  1.00  0.00           O  
HETATM   13  C10 UNL     1      -1.388   0.440  -0.478  1.00  0.00           C  
HETATM   14  C11 UNL     1      -2.078   1.309  -1.338  1.00  0.00           C  
HETATM   15  C12 UNL     1      -3.444   1.309  -1.340  1.00  0.00           C  
HETATM   16  O4  UNL     1      -4.153   2.176  -2.198  1.00  0.00           O  
HETATM   17  C13 UNL     1      -4.100   0.457  -0.498  1.00  0.00           C  
HETATM   18  C14 UNL     1      -3.425  -0.425   0.375  1.00  0.00           C  
HETATM   19  O5  UNL     1      -4.139  -1.245   1.185  1.00  0.00           O  
HETATM   20  C15 UNL     1      -2.049  -0.419   0.371  1.00  0.00           C  
HETATM   21  H1  UNL     1       0.449  -2.642   2.571  1.00  0.00           H  
HETATM   22  H2  UNL     1       1.845   1.407  -1.432  1.00  0.00           H  
HETATM   23  H3  UNL     1       4.224   1.816  -1.833  1.00  0.00           H  
HETATM   24  H4  UNL     1       5.879   0.509  -0.539  1.00  0.00           H  
HETATM   25  H5  UNL     1       5.139  -1.168   1.117  1.00  0.00           H  
HETATM   26  H6  UNL     1       2.807  -1.584   1.527  1.00  0.00           H  
HETATM   27  H7  UNL     1      -1.507   1.963  -1.984  1.00  0.00           H  
HETATM   28  H8  UNL     1      -4.408   3.117  -1.867  1.00  0.00           H  
HETATM   29  H9  UNL     1      -5.174   0.437  -0.479  1.00  0.00           H  
HETATM   30  H10 UNL     1      -3.867  -1.896   1.830  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   20
CONECT    3    4    5    5
CONECT    4   21
CONECT    5    6   12
CONECT    6    7    7   11
CONECT    7    8   22
CONECT    8    9    9   23
CONECT    9   10   24
CONECT   10   11   11   25
CONECT   11   26
CONECT   12   13
CONECT   13   14   14   20
CONECT   14   15   27
CONECT   15   16   17   17
CONECT   16   28
CONECT   17   18   29
CONECT   18   19   20   20
CONECT   19   30
END

NP0043878
     RDKit          3D

30 32  0  0  0  0  0  0  0  0999 V2000
   -1.7950   -2.0400    1.9735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2912   -1.2279    1.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1054   -1.1611    1.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8319   -1.9894    1.9260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7041   -0.2920    0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1378   -0.1191    0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    0.8256   -0.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9080    1.0784   -1.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    0.3448   -0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4118   -0.5868    0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -0.8374    0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0935    0.4459   -0.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3876    0.4398   -0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780    1.3085   -1.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4436    1.3095   -1.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1531    2.1758   -2.1976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0996    0.4574   -0.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4252   -0.4246    0.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1385   -1.2448    1.1849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0493   -0.4194    0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4486   -2.6425    2.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8453    1.4074   -1.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2245    1.8155   -1.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8789    0.5085   -0.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1389   -1.1675    1.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072   -1.5842    1.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    1.9626   -1.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4080    3.1168   -1.8672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1735    0.4369   -0.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8668   -1.8965    1.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  5 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20  2  1  0
 11  6  1  0
 20 13  1  0
  4 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 16 28  1  0
 17 29  1  0
 19 30  1  0
M  END

View in JSmol

Synonyms

Value	Source
3,5,7-Trihydroxy-2-phenyl-4H-benzopyran-4-one	ChEBI
3,5,7-Trihydroxyflavone	ChEBI
3,5,7-TriOH-flavone	ChEBI
Teptochrysin	ChEBI
3,5,7-Trihydroxy-2-phenyl-4-benzopyrone	HMDB
3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one	HMDB
3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one, 9ci	HMDB
3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one	HMDB
3,5,7-Trihydroxy-flavone	HMDB
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl- (9ci)	HMDB
5,7-Dihydroxyflavonol	HMDB
Galangin	HMDB
Norizalpinin	ChEBI

Chemical Formula

C₁₅H₁₀O₅

Average Mass

270.2369 Da

Monoisotopic Mass

270.05282 Da

IUPAC Name

3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one

Traditional Name

galangin

CAS Registry Number

Not Available

SMILES

OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=CC=C2)=C1

InChI Identifier

InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H

InChI Key

VCCRNZQBSJXYJD-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Abelmoschus esculentus	FooDB	FooDB
Acacia neovernicosa	LOTUS Database	35616633
Achyrocline satureioides	LOTUS Database	35616633
Actinidia chinensis	FooDB	FooDB
Adenostoma sparsifolium	LOTUS Database	35616633
Agaricus bisporus	FooDB	FooDB
Agave	FooDB	FooDB
Allium ampeloprasum	FooDB	FooDB
Allium ascalonicum	FooDB	FooDB
Allium cepa	FooDB	PHENOL EXPLORER
Allium cepa L.	FooDB	FooDB
Allium fistulosum	FooDB	FooDB
Allium sativum	FooDB	FooDB
Allium schoenoprasum	FooDB	FooDB
Allium tuberosum	FooDB	FooDB
Alnus pendula	KNApSAcK Database	22123792
Alnus sieboldiana	LOTUS Database	35616633
Alnus viridis	LOTUS Database	35616633
Aloysia triphylla	FooDB	FooDB
Alpinia conchigera	LOTUS Database	35616633
Alpinia galanga	KNApSAcK Database	22123792
Alpinia officinarum	KNApSAcK Database	22123792
Amaranthus	FooDB	FooDB
Amelanchier alnifolia	FooDB	FooDB
Anacardium occidentale	FooDB	FooDB
Ananas comosus	FooDB	FooDB
Anethum graveolens	FooDB	FooDB
Angelica keiskei	FooDB	FooDB
Annona cherimola	FooDB	FooDB
Annona muricata	FooDB	FooDB
Annona reticulata	FooDB	FooDB
Annona squamosa	FooDB	FooDB
Anthriscus cerefolium	FooDB	FooDB
Apis mellifera	LOTUS Database	35616633
Apis mellifera ligustica	KNApSAcK Database	22123792
Apium graveolens	FooDB	FooDB
Apium graveolens var. dulce	FooDB	FooDB
Apium graveolens var. rapaceum	FooDB	FooDB
Apium graveolens var. secalinum	FooDB	FooDB
Arachis hypogaea	FooDB	FooDB
Arctium lappa	FooDB	FooDB
Armoracia rusticana	FooDB	FooDB
Artemisia dracunculus	FooDB	FooDB
Artemisia vulgaris	FooDB	FooDB
Artocarpus altilis	FooDB	FooDB
Artocarpus heterophyllus	FooDB	FooDB
Asparagus officinalis	FooDB	FooDB
Attalea speciosa	FooDB	FooDB
Auricularia auricula-judae	FooDB	FooDB
Auricularia polytricha	FooDB	FooDB
Avena sativa L.	FooDB	FooDB
Averrhoa carambola	FooDB	FooDB
Baccharis viminea	KNApSAcK Database	22123792
Basella alba	FooDB	FooDB
Benincasa hispida	FooDB	FooDB
Bertholletia excelsa	FooDB	FooDB
Beta vulgaris	FooDB	FooDB
Beta vulgaris ssp. cicla	FooDB	FooDB
Borago officinalis	FooDB	FooDB
Brassica alboglabra	FooDB	FooDB
Brassica juncea	FooDB	FooDB
Brassica napus	FooDB	FooDB
Brassica napus var. napus	FooDB	FooDB
Brassica oleracea	FooDB	FooDB
Brassica oleracea var. botrytis	FooDB	FooDB
Brassica oleracea var. capitata	FooDB	FooDB
Brassica oleracea var. gemmifera	FooDB	FooDB
Brassica oleracea var. gongylodes	FooDB	FooDB
Brassica oleracea var. italica	FooDB	PHENOL EXPLORER
Brassica oleracea var. sabauda	FooDB	FooDB
Brassica oleracea var. viridis	FooDB	FooDB
Brassica rapa	FooDB	FooDB
Brassica rapa ssp. chinensis	FooDB	FooDB
Brassica rapa var. pekinensis	FooDB	FooDB
Brassica rapa var. rapa	FooDB	FooDB
Brassica ruvo	FooDB	FooDB
Brosimum alicastrum	FooDB	FooDB
Byrsonima crassifolia	FooDB	FooDB
Cajanus cajan	FooDB	FooDB
Callitris columellaris	LOTUS Database	35616633
Canarium ovatum	FooDB	FooDB
Cannabis sativa	CannabisDB	Not Available
Cantharellus cibarius	FooDB	FooDB
Capparis spinosa	FooDB	FooDB
Capsicum annuum	FooDB	FooDB
Capsicum annuum L.	FooDB	FooDB
Capsicum annuum var. annuum	FooDB	FooDB
Capsicum chinense	FooDB	FooDB
Capsicum pubescens	FooDB	FooDB
Carica papaya L.	FooDB	FooDB
Carissa macrocarpa	FooDB	FooDB
Carthamus tinctorius	FooDB	FooDB
Carum carvi	FooDB	FooDB
Carya	FooDB	FooDB
Carya illinoinensis	FooDB	FooDB
Cassinia quinquefaria	KNApSAcK Database	22123792
Castanea	FooDB	FooDB
Castanea crenata	FooDB	FooDB
Castanea mollissima	FooDB	FooDB
Castanea sativa	FooDB	FooDB
Ceratonia siliqua	FooDB	FooDB
Chamaemelum nobile	FooDB	FooDB
Chamerion angustifolium	FooDB	FooDB
Chenopodium album	FooDB	FooDB
Chenopodium quinoa	FooDB	FooDB
Chrysanthemum coronarium	FooDB	FooDB
Chrysanthemum morifolium	LOTUS Database	35616633
Cicer arietinum	FooDB	FooDB
Cichorium endivia	FooDB	FooDB
Cichorium intybus	FooDB	FooDB
Cinnamomum	FooDB	FooDB
Cinnamomum aromaticum	FooDB	FooDB
Cinnamomum verum	FooDB	FooDB
Cirsium	FooDB	FooDB
Citrullus lanatus	FooDB	FooDB
Citrus ×limon (L.) Burm. f. (pro sp.)	FooDB	FooDB
Citrus aurantiifolia	FooDB	FooDB
Citrus latifolia	FooDB	FooDB
Citrus limon	FooDB	PHENOL EXPLORER
Citrus maxima	FooDB	FooDB
Citrus paradisi	FooDB	FooDB
Citrus reticulata	FooDB	FooDB
Citrus sinensis	LOTUS Database	35616633
Citrus X sinensis (L.) Osbeck (pro. sp.)	FooDB	PHENOL EXPLORER
Cocos nucifera	FooDB	FooDB
Coffea arabica L.	FooDB	FooDB
Coffea canephora	FooDB	FooDB
Colocasia esculenta	FooDB	FooDB
Corchorus olitorius	FooDB	FooDB
Coriandrum sativum L.	FooDB	FooDB
Corylus	FooDB	FooDB
Corylus avellana	FooDB	FooDB
Crateva religiosa	FooDB	FooDB
Crocus sativus	FooDB	FooDB
Cucumis melo	FooDB	FooDB
Cucumis metuliferus	FooDB	FooDB
Cucumis sativus L.	FooDB	FooDB
Cucurbita	FooDB	FooDB
Cucurbita maxima	FooDB	FooDB
Cucurbita moschata	FooDB	FooDB
Cuminum cyminum	FooDB	FooDB
Curcuma longa	FooDB	FooDB
Cydonia oblonga	FooDB	FooDB
Cymbopogon citratus	FooDB	FooDB
Cynara cardunculus	FooDB	FooDB
Cynara scolymus	FooDB	FooDB
Datisca cannabina	KNApSAcK Database	22123792
Daucus carota	FooDB	FooDB
Daucus carota ssp. sativus	FooDB	FooDB
Dennstaedtia scabra	LOTUS Database	35616633
Dimocarpus longan	FooDB	FooDB
Dioscorea	FooDB	FooDB
Dioscorea pentaphylla	FooDB	FooDB
Diospyros	FooDB	FooDB
Diospyros kaki	FooDB	FooDB
Diospyros virginiana	FooDB	FooDB
Durio zibethinus	FooDB	FooDB
Dysphania ambrosioides	FooDB	FooDB
Elaeis	FooDB	FooDB
Eleocharis dulcis	FooDB	FooDB
Elettaria cardamomum	FooDB	FooDB
Empetrum nigrum	FooDB	FooDB
Endosamara racemosa	LOTUS Database	35616633
Entada phaseoloides	LOTUS Database	35616633
Eragrostis tef	FooDB	FooDB
Eriobotrya japonica	FooDB	FooDB
Eruca vesicaria subsp. Sativa	FooDB	FooDB
Escallonia spp.	KNApSAcK Database	22123792
Eugenia javanica	FooDB	FooDB
Eugenia uniflora	FooDB	FooDB
Eutrema japonicum	FooDB	FooDB
Fagopyrum esculentum	FooDB	FooDB
Fagopyrum tataricum	FooDB	FooDB
Fagus	FooDB	FooDB
Feijoa sellowiana	FooDB	FooDB
Ficus carica	FooDB	FooDB
Flammulina velutipes	FooDB	FooDB
Flourensia cernua	KNApSAcK Database	22123792
Foeniculum vulgare	FooDB	FooDB
Fragaria x ananassa	FooDB	FooDB
Gaga kaulfussii	LOTUS Database	35616633
Garcinia mangostana	FooDB	FooDB
Gaylussacia baccata	FooDB	FooDB
Ginkgo biloba	KNApSAcK Database	22123792
Glycine max	FooDB	FooDB
Glycyrrhiza glabra	KNApSAcK Database	22123792
Glycyrrhiza uralensis	LOTUS Database	35616633
Gnaphalium microcephalum	KNApSAcK Database	22123792
Gossypium	FooDB	FooDB
Grifola frondosa	FooDB	FooDB
Hedychium spicatum	LOTUS Database	35616633
Hedysarum alpinum	FooDB	FooDB
Helianthus annuus L.	FooDB	FooDB
Helianthus tuberosus	FooDB	FooDB
Helichrysum aureonitens	KNApSAcK Database	22123792
Helichrysum aureum	KNApSAcK Database	22123792
Heliotropium filifolium	KNApSAcK Database	22123792
Heliotropium subulatum	Plant	KNApSAcK
Heliotropium taltalense	Plant	KNApSAcK
Heterothalamus psiadioides	KNApSAcK Database	22123792
Hibiscus sabbariffa	FooDB	FooDB
Hippophae rhamnoides	FooDB	FooDB
Hordeum vulgare	FooDB	FooDB
Hyssopus officinalis L.	FooDB	FooDB
Illicium verum	FooDB	FooDB
Ipomoea aquatica	FooDB	FooDB
Ipomoea batatas	FooDB	FooDB
Juglans	FooDB	FooDB
Juglans ailanthifolia	FooDB	FooDB
Juglans cinerea	FooDB	FooDB
Juglans nigra L.	FooDB	FooDB
Juglans regia	FooDB	FooDB
Lablab purpureus	FooDB	FooDB
Lactuca sativa	FooDB	FooDB
Lagenaria siceraria	FooDB	FooDB
Lathyrus sativus	FooDB	FooDB
Laurus nobilis L.	FooDB	FooDB
Lens culinaris	FooDB	FooDB
Lentinus edodes	FooDB	FooDB
Lepidium sativum	FooDB	FooDB
Levisticum officinale	FooDB	FooDB
Linum usitatissimum	FooDB	FooDB
Lippia graveolens	LOTUS Database	35616633
Litchi chinensis	FooDB	FooDB
Luffa aegyptiaca	FooDB	FooDB
Lupinus	FooDB	FooDB
Lupinus albus	FooDB	FooDB
Lychnophora ericoides	LOTUS Database	35616633
Macadamia	FooDB	FooDB
Macadamia tetraphylla	FooDB	FooDB
Malpighia emarginata	FooDB	FooDB
Malus	FooDB	FooDB
Malus pumila	FooDB	PHENOL EXPLORER
Mammea americana	FooDB	FooDB
Mangifera indica	FooDB	FooDB
Manihot esculenta	FooDB	FooDB
Manilkara zapota	FooDB	FooDB
Maranta arundinacea	FooDB	FooDB
Matricaria recutita	FooDB	FooDB
Matteuccia struthiopteris	FooDB	FooDB
Medicago sativa	FooDB	FooDB
Melissa officinalis L.	FooDB	FooDB
Mentha	FooDB	FooDB
Mentha aquatica	FooDB	FooDB
Mentha arvensis	FooDB	FooDB
Mentha spicata	FooDB	FooDB
Mentha x piperita	FooDB	FooDB
Mespilus germanica	FooDB	FooDB
Metroxylon sagu	FooDB	FooDB
Millettia racemosa	KNApSAcK Database	22123792
Momordica charantia	FooDB	FooDB
Morchellaceae	FooDB	FooDB
Morella rubra	FooDB	FooDB
Moringa oleifera	FooDB	FooDB
Morus	FooDB	FooDB
Morus nigra	FooDB	FooDB
Muntingia calabura	LOTUS Database	35616633
Musa acuminata	FooDB	FooDB
Musa x paradisiaca	FooDB	FooDB
Myrica	FooDB	FooDB
Myristica fragrans	FooDB	FooDB
Nelumbo	FooDB	FooDB
Nelumbo nucifera	FooDB	FooDB
Nephelium lappaceum	FooDB	FooDB
Nothofagus alessandri	KNApSAcK Database	22123792
Nothofagus antarctica	KNApSAcK Database	22123792
Nothofagus spp.	KNApSAcK Database	22123792
Notholaena candida	LOTUS Database	35616633
Nuphar lutea	FooDB	FooDB
Ocimum basilicum	FooDB	FooDB
Odixia spp.	KNApSAcK Database	22123792
Oenothera biennis	FooDB	FooDB
Olea europaea	FooDB	FooDB
Opuntia	FooDB	FooDB
Opuntia cochenillifera	FooDB	FooDB
Opuntia macrorhiza	FooDB	FooDB
Origanum akhadarense	Plant	KNApSAcK
Origanum boissieri	Plant	KNApSAcK
Origanum hypercifolium	Plant	KNApSAcK
Origanum majorana	FooDB	FooDB
Origanum micranthum	Plant	KNApSAcK
Origanum onites	FooDB	FooDB
Origanum pampaninii	Plant	KNApSAcK
Origanum vulgare	Plant	KNApSAcK
Origanum X majoricum	FooDB	FooDB
Oryza rufipogon	FooDB	FooDB
Oryza sativa	FooDB	FooDB
Pachyrhizus erosus	FooDB	FooDB
Panax ginseng	FooDB	FooDB
Pangium edule	FooDB	FooDB
Panicum miliaceum	FooDB	FooDB
Passiflora edulis	FooDB	FooDB
Pastinaca sativa	FooDB	FooDB
Pediomelum esculentum	FooDB	FooDB
Perideridia oregana	FooDB	FooDB
Persea americana	FooDB	FooDB
Petasites japonicus	FooDB	FooDB
Petroselinum crispum	FooDB	PHENOL EXPLORER
Phaseolus coccineus	FooDB	FooDB
Phaseolus lunatus	FooDB	FooDB
Phaseolus vulgaris	FooDB	FooDB
Phoenix dactylifera	FooDB	FooDB
Photinia melanocarpa	FooDB	FooDB
Phyllostachys edulis	FooDB	FooDB
Physalis	FooDB	FooDB
Physalis philadelphica var. immaculata	FooDB	FooDB
Phytolacca americana	FooDB	FooDB
Pimenta dioica	FooDB	FooDB
Pimpinella anisum	FooDB	FooDB
Pinus	FooDB	FooDB
Pinus edulis	FooDB	FooDB
Pinus morrisonicola	LOTUS Database	35616633
Piper nigrum L.	FooDB	FooDB
Pistacia vera	FooDB	FooDB
Pisum sativum	FooDB	FooDB
Plantago major	KNApSAcK Database	22123792
Pleurotus ostreatus	FooDB	FooDB
Polygonum alpinum	FooDB	FooDB
Populus alba	LOTUS Database	35616633
Populus balsamifera	LOTUS Database	35616633
Populus canadensis	LOTUS Database	35616633
Populus cathayana	LOTUS Database	35616633
Populus deltoides	LOTUS Database	35616633
Populus laurifolia	LOTUS Database	35616633
Populus nigra	KNApSAcK Database	22123792
Populus simonii	LOTUS Database	35616633
Populus suaveolens	LOTUS Database	35616633
Populus trichocarpa	LOTUS Database	35616633
Portulaca oleracea	FooDB	FooDB
Pouteria sapota	FooDB	FooDB
Prunus armeniaca	FooDB	FooDB
Prunus avium	FooDB	FooDB
Prunus avium L.	FooDB	FooDB
Prunus cerasus	FooDB	FooDB
Prunus domestica	FooDB	FooDB
Prunus dulcis	FooDB	FooDB
Prunus persica	FooDB	FooDB
Prunus persica var. nucipersica	FooDB	FooDB
Prunus persica var. persica	FooDB	FooDB
Prunus tomentosa	FooDB	FooDB
Prunus virginiana	FooDB	FooDB
Psidium cattleianum	FooDB	FooDB
Psidium guajava	FooDB	FooDB
Psophocarpus tetragonolobus	FooDB	FooDB
Punica granatum	FooDB	FooDB
Pyrus communis	FooDB	FooDB
Pyrus pyrifolia	FooDB	FooDB
Quercus	FooDB	FooDB
Raphanus sativus	FooDB	FooDB
Raphanus sativus var. longipinnatus	FooDB	FooDB
Raphanus sativus var. sativus	FooDB	FooDB
Rheum rhabarbarum	FooDB	FooDB
Ribes aureum	FooDB	FooDB
Ribes glandulosum	FooDB	FooDB
Ribes nigrum	FooDB	FooDB
Ribes rubrum	FooDB	FooDB
Ribes uva-crispa	FooDB	FooDB
Ribes viscosissimum	KNApSAcK Database	22123792
Rosa	FooDB	FooDB
Rubus arcticus	FooDB	FooDB
Rubus chamaemorus	FooDB	FooDB
Rubus idaeus	FooDB	FooDB
Rubus occidentalis	FooDB	FooDB
Rubus spectabilis	FooDB	FooDB
Rumex	FooDB	FooDB
Rumex acetosa	FooDB	FooDB
Rumex articus	FooDB	FooDB
Sagittaria latifolia	FooDB	FooDB
Salix pulchra	FooDB	FooDB
Salvia elegans	FooDB	FooDB
Salvia hispanica	FooDB	FooDB
Salvia officinalis	FooDB	FooDB
Salvia rosmarinus	FooDB	FooDB
Sambucus nigra	FooDB	FooDB
Sambucus nigra L.	FooDB	FooDB
Satureja hortensis L.	FooDB	FooDB
Satureja montana	FooDB	FooDB
Scorzonera hispanica	FooDB	FooDB
Scutellaria baicalensis	LOTUS Database	35616633
Scutellaria galericulata	KNApSAcK Database	22123792
Secale cereale	FooDB	FooDB
Sechium edule	FooDB	FooDB
Sesamum indicum	FooDB	FooDB
Sesbania bispinosa	FooDB	FooDB
Sinapis alba	FooDB	FooDB
Sisymbrium	FooDB	FooDB
Solanum lycopersicum	FooDB	FooDB
Solanum lycopersicum var. cerasiforme	FooDB	FooDB
Solanum lycopersicum var. lycopersicum	FooDB	FooDB
Solanum melongena	FooDB	FooDB
Solanum quitoense	FooDB	FooDB
Solanum tuberosum	FooDB	FooDB
Sorbus aucuparia	FooDB	FooDB
Sorghum bicolor	FooDB	FooDB
Spinacia oleracea	FooDB	FooDB
Syzygium aromaticum	FooDB	FooDB
Syzygium cumini	FooDB	FooDB
Syzygium jambos	FooDB	FooDB
Tamarindus indica	FooDB	FooDB
Taraxacum officinale	FooDB	FooDB
Taxus fuana	KNApSAcK Database	22123792
Taxus wallichiana var. yunnanensis	Plant	KNApSAcK
Taxus yunnanensis	KNApSAcK Database	22123792
Tetragonia tetragonioides	FooDB	FooDB
Thelesperma	FooDB	FooDB
Thymus pulegioides	FooDB	FooDB
Thymus vulgaris	FooDB	FooDB
Tilia cordata	FooDB	FooDB
Tilia L.	FooDB	FooDB
Tragopogon porrifolius	FooDB	FooDB
Trichostema lanatum	LOTUS Database	35616633
Trigonella foenum-graecum	FooDB	FooDB
Triticum	FooDB	FooDB
Triticum aestivum	FooDB	FooDB
Triticum durum	FooDB	FooDB
Triticum spelta	FooDB	FooDB
Triticum turanicum	FooDB	FooDB
Typha angustifolia	FooDB	FooDB
Vaccinium	FooDB	FooDB
Vaccinium angustifolium	FooDB	FooDB
Vaccinium angustifolium X Vaccinium corymbosum	FooDB	FooDB
Vaccinium arboreum	FooDB	FooDB
Vaccinium corymbosum	FooDB	FooDB
Vaccinium deliciosum	FooDB	FooDB
Vaccinium elliottii	FooDB	FooDB
Vaccinium macrocarpon	FooDB	FooDB
Vaccinium myrtilloides	FooDB	FooDB
Vaccinium myrtillus	FooDB	FooDB
Vaccinium ovalifolium	FooDB	FooDB
Vaccinium ovatum	FooDB	FooDB
Vaccinium oxycoccos	FooDB	FooDB
Vaccinium parvifolium	FooDB	FooDB
Vaccinium reticulatum	FooDB	FooDB
Vaccinium stamineum	FooDB	FooDB
Vaccinium uliginosum	FooDB	FooDB
Vaccinium vitis-idaea	FooDB	PHENOL EXPLORER
Valerianella locusta	FooDB	FooDB
Vanilla	FooDB	FooDB
Verbena officinalis	FooDB	FooDB
Viburnum edule	FooDB	FooDB
Vicia faba	FooDB	FooDB
Vigna aconitifolia	FooDB	FooDB
Vigna angularis	FooDB	FooDB
Vigna mungo	FooDB	FooDB
Vigna radiata	FooDB	FooDB
Vigna umbellata	FooDB	FooDB
Vigna unguiculata	FooDB	FooDB
Vigna unguiculata ssp. cylindrica	FooDB	FooDB
Vigna unguiculata ssp. unguiculata	FooDB	FooDB
Vigna unguiculata var. sesquipedalis	FooDB	FooDB
Vitis	FooDB	FooDB
Vitis aestivalis	FooDB	FooDB
Vitis labrusca	FooDB	FooDB
Vitis rotundifolia	FooDB	FooDB
Vitis vinifera L.	FooDB	FooDB
Woodsia scopulina	KNApSAcK Database	22123792
Xanthosoma sagittifolium	FooDB	FooDB
Zea mays L.	FooDB	FooDB
Zingiber mioga	Plant	KNApSAcK
Zingiber officinale	Plant	KNApSAcK
Zizania	FooDB	FooDB
Zizania aquatica	FooDB	FooDB
Ziziphus zizyphus	FooDB	FooDB
Zuccagnia punctata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavones

Direct Parent

Flavonols

Alternative Parents

Substituents

3-hydroxyflavone
3-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Chromone
Benzopyran
1-benzopyran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Monocyclic benzene moiety
Benzenoid
Pyran
Vinylogous acid
Heteroaromatic compound
Organoheterocyclic compound
Oxacycle
Polyol
Organooxygen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

trihydroxyflavone (CHEBI:5262 )
7-hydroxyflavonol (CHEBI:5262 )
Flavones and Flavonols (C10044 )
Flavones and Flavonols (LMPK12111653 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	214.50 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Boiling Point	518.64 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	571.9 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	3.322 (est)	The Good Scents Company Information System

Predicted Properties

Property	Value	Source
logP	2.39	ALOGPS
logP	2.76	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	6.38	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	86.99 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	72.9 m³·mol⁻¹	ChemAxon
Polarizability	26.54 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

HMDB0029521

DrugBank ID

Not Available

Phenol Explorer Compound ID

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Galangin

METLIN ID

Not Available

PubChem Compound

5281616

PDB ID

Not Available

ChEBI ID

5262

Good Scents ID

rw1247821

References

General References

Blunder M, Orthaber A, Bauer R, Bucar F, Kunert O: Efficient identification of flavones, flavanones and their glycosides in routine analysis via off-line combination of sensitive NMR and HPLC experiments. Food Chem. 2017 Mar 1;218:600-609. doi: 10.1016/j.foodchem.2016.09.077. Epub 2016 Sep 13. [PubMed:27719955 ]
Zhang W, Tang B, Huang Q, Hua Z: Galangin inhibits tumor growth and metastasis of B16F10 melanoma. J Cell Biochem. 2013 Jan;114(1):152-61. doi: 10.1002/jcb.24312. [PubMed:22887049 ]
Li K, Xing S, Wang M, Peng Y, Dong Y, Li X: Anticomplement and antimicrobial activities of flavonoids from Entada phaseoloides. Nat Prod Commun. 2012 Jul;7(7):867-71. [PubMed:22908567 ]
Huh JE, Jung IT, Choi J, Baek YH, Lee JD, Park DS, Choi DY: The natural flavonoid galangin inhibits osteoclastic bone destruction and osteoclastogenesis by suppressing NF-kappaB in collagen-induced arthritis and bone marrow-derived macrophages. Eur J Pharmacol. 2013 Jan 5;698(1-3):57-66. doi: 10.1016/j.ejphar.2012.08.013. Epub 2012 Sep 14. [PubMed:22985747 ]
Li S, Wu C, Zhu L, Gao J, Fang J, Li D, Fu M, Liang R, Wang L, Cheng M, Yang H: By improving regional cortical blood flow, attenuating mitochondrial dysfunction and sequential apoptosis galangin acts as a potential neuroprotective agent after acute ischemic stroke. Molecules. 2012 Nov 9;17(11):13403-23. doi: 10.3390/molecules171113403. [PubMed:23143152 ]

Showing NP-Card for Galangin (NP0043878)

MOL for NP0043878 (Galangin)

3D MOL for NP0043878 (Galangin)

3D SDF for NP0043878 (Galangin)

3D-SDF for NP0043878 (Galangin)

PDB for NP0043878 (Galangin)

3D PDB for NP0043878 (Galangin)

SMILES for NP0043878 (Galangin)

INCHI for NP0043878 (Galangin)

Structure for NP0043878 (Galangin)

3D Structure for NP0043878 (Galangin)