NP-MRD: Showing NP-Card for Tamarixetin (NP0044784)

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Record Information

Version

2.0

Created at

2022-02-24 21:16:04 UTC

Updated at

2026-02-13 16:01:29 UTC

NP-MRD ID

NP0044784

Natural Product DOI

https://doi.org/10.57994/6693

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Tamarixetin

Description

Tamarixetin is found in Achyrocline flaccida, Aegiceras corniculatum, Alhagi graecorum, Allium cepa, Alnus glutinosa , Ambrosia deltoidea, Anethum graveolens , Artemisia afra, Artemisia annua , Balsamorhiza deltoidea, Balsamorhiza macrophylla, Blumea balsamifera , Bupleurum fruticescens, Capparis spinosa , Ceratonia siliqua , Chromolaena odorata , Costus spicatus , Cota altissima, Croton steenkampianus, Ageratina altissima, Ginkgo biloba, Gossypium hirsutum , Lepidaploa rufogrisea, Levisticum officinale , Raphanus sativus , Rumex acetosa , Tamarix aphylla, Tamarix gallica, Tamarix nilotica, Tamarix spp., Thevetia neriifolia, Vellozia streptophylla and Zanthoxylum bungeanum . Tamarixetin was first documented in 2013 (PMID: 23319447).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 35 37  0  0  0  0  0  0  0  0999 V2000
   -6.1321   -0.1690    0.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1807    0.8106    0.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8275    0.4848    0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3722   -0.7753    0.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0168   -1.1342    0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1062   -0.1888    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3325   -0.4214   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1153    0.5861   -0.3828 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4007    0.5586   -0.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1107    1.7088   -0.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4775    1.6669   -0.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2091    2.8057   -1.3750 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1154    0.5019   -0.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413   -0.6679   -0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1443   -1.7913   -0.1360 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662   -0.6301   -0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3028   -1.7141    0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8379   -2.8245    0.3648 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9053   -1.6285    0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2051   -2.7557    0.6017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5556    1.1039   -0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    1.4304   -0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3246    2.7204   -0.5243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4004   -0.8368   -0.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0909    0.3672    0.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8201   -0.7659    1.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0782   -1.5432    0.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7368   -2.1365    0.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5636    2.6203   -1.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6806    3.6433   -1.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2043    0.4543   -0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9101   -2.6730    0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6355   -3.6374    0.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274    1.8690   -0.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3055    2.9611   -0.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 22  2  0
 22 23  1  0
 22 21  1  0
 21  6  2  0
  6  5  1  0
  5  4  2  0
  6  7  1  0
  7 19  2  0
 19 20  1  0
 19 17  1  0
 17 18  2  0
 17 16  1  0
 16 14  2  0
 14 15  1  0
 14 13  1  0
 13 11  2  0
 11 12  1  0
 11 10  1  0
 10  9  2  0
  9  8  1  0
  4  3  1  0
  8  7  1  0
  9 16  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
 23 35  1  0
 21 34  1  0
  5 28  1  0
  4 27  1  0
 20 33  1  0
 15 32  1  0
 13 31  1  0
 12 30  1  0
 10 29  1  0
M  END


  Mrv1652310051716072D          

 23 25  0  0  0  0            999 V2000
    5.0013    2.0625    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
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    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    0.0000    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
   -0.7145   -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
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    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
    0.7145   -1.2375    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  7  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  2  0  0  0  0
 13 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  7  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  1  0  0  0  0
 22  1  1  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 23 16  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0044784

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3

> <INCHI_KEY>
FPLMIPQZHHQWHN-UHFFFAOYSA-N

> <FORMULA>
C16H12O7

> <MOLECULAR_WEIGHT>
316.2623

> <EXACT_MASS>
316.058302738

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
30.651344122880914

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one

> <ALOGPS_LOGP>
1.95

> <JCHEM_LOGP>
2.30219352

> <ALOGPS_LOGS>
-3.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.931978609720254

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.382032578963958

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9553844501558304

> <JCHEM_POLAR_SURFACE_AREA>
116.45000000000002

> <JCHEM_REFRACTIVITY>
81.34450000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.51e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tamarixetin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-OCT-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-OCT-17         0                                  
HETATM    1  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   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       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
CONECT    1   22                                                            
CONECT    2    3    7                                                       
CONECT    3    2   11                                                       
CONECT    4    7    9                                                       
CONECT    5    8   10                                                       
CONECT    6    8   12                                                       
CONECT    7    2    4   16                                                  
CONECT    8    5    6   17                                                  
CONECT    9    4   11   18                                                  
CONECT   10    5   13   19                                                  
CONECT   11    3    9   22                                                  
CONECT   12    6   13   23                                                  
CONECT   13   10   12   14                                                  
CONECT   14   13   15   20                                                  
CONECT   15   14   16   21                                                  
CONECT   16    7   15   23                                                  
CONECT   17    8                                                            
CONECT   18    9                                                            
CONECT   19   10                                                            
CONECT   20   14                                                            
CONECT   21   15                                                            
CONECT   22    1   11                                                       
CONECT   23   12   16                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone	ChEBI
4'-Methoxy-3,3',5,7-tetrahydroxyflavone	ChEBI
4'-Methoxyquercetin	ChEBI
Quercetin 4'-methyl ether	ChEBI
3-O-alpha-L-Rhamnopyranosyl-1-2-beta-D-glucopyranoside	MeSH
3-O-Rhamnopyranosyl-1-2-glucopyranoside	MeSH

Chemical Formula

C₁₆H₁₂O₇

Average Mass

316.2623 Da

Monoisotopic Mass

316.05830 Da

IUPAC Name

3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one

Traditional Name

tamarixetin

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1

InChI Identifier

InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3

InChI Key

FPLMIPQZHHQWHN-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

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

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 500.0, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-13	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125.0, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-13	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Achyrocline flaccida	Plant	KNApSAcK
Aegiceras corniculatum	LOTUS Database	35616633
Alhagi graecorum	LOTUS Database	35616633
Allium cepa	LOTUS Database	35616633
Alnus glutinosa	Plant	KNApSAcK
Ambrosia deltoidea	Plant	KNApSAcK
Anethum graveolens	Plant	KNApSAcK
Artemisia afra	LOTUS Database	35616633
Artemisia annua	Plant	KNApSAcK
Balsamorhiza deltoidea	LOTUS Database	35616633
Balsamorhiza macrophylla	Plant	KNApSAcK
Blumea balsamifera	Plant	KNApSAcK
Bupleurum fruticescens	LOTUS Database	35616633
Bupleurum spinosum		Not Available
Capparis spinosa	Plant	KNApSAcK
Ceratonia siliqua	Plant	KNApSAcK
Chromolaena odorata	Plant	KNApSAcK
Costus spicatus	Plant	KNApSAcK
Cota altissima	LOTUS Database	35616633
Croton steenkampianus	LOTUS Database	35616633
Eupatorium rugosum	LOTUS Database	35616633
Ginkgo biloba	LOTUS Database	35616633
Gossypium hirsutum	Plant	KNApSAcK
Lepidaploa rufogrisea	LOTUS Database	35616633
Levisticum officinale	Plant	KNApSAcK
Raphanus sativus	Plant	KNApSAcK
Rumex acetosa	Plant	KNApSAcK
Tamarix aphylla	LOTUS Database	35616633
Tamarix gallica	LOTUS Database	35616633
Tamarix nilotica	LOTUS Database	35616633
Tamarix spp.	Plant	KNApSAcK
Thevetia neriifolia	Plant	KNApSAcK
Vellozia streptophylla	Plant	KNApSAcK
Zanthoxylum bungeanum	Plant	KNApSAcK

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

4p-methoxyflavonoid-skeleton
3-hydroxyflavone
3'-hydroxyflavonoid
3-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Chromone
Benzopyran
1-benzopyran
Methoxyphenol
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Pyranone
Phenol
Benzenoid
Monocyclic benzene moiety
Pyran
Vinylogous acid
Heteroaromatic compound
Ether
Organoheterocyclic compound
Oxacycle
Polyol
Organic oxygen compound
Organooxygen compound
Organic oxide
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

monomethoxyflavone (CHEBI:67492 )
tetrahydroxyflavone (CHEBI:67492 )
7-hydroxyflavonol (CHEBI:67492 )
flavonols (C10188 )
Flavones and Flavonols (C10188 )
Flavones and Flavonols (LMPK12110606 )

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	1.95	ALOGPS
logP	2.3	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	6.38	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	116.45 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	81.34 m³·mol⁻¹	ChemAxon
Polarizability	30.65 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

FDB016383

KNApSAcK ID

C00004636

Chemspider ID

Not Available

KEGG Compound ID

C10188

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Tamarixetin

METLIN ID

Not Available

PubChem Compound

5281699

PDB ID

Not Available

ChEBI ID

67492

Good Scents ID

Not Available

References

General References

Guo Y, Mah E, Davis CG, Jalili T, Ferruzzi MG, Chun OK, Bruno RS: Dietary fat increases quercetin bioavailability in overweight adults. Mol Nutr Food Res. 2013 May;57(5):896-905. doi: 10.1002/mnfr.201200619. Epub 2013 Jan 15. [PubMed:23319447 ]
A. F. Barrero, A. Haidour, M. Muñoz-Dorado, M. Akssira, A. Sedqui, I. Mansour (1998). A. F. Barrero, A. Haidour, M. Muñoz-Dorado, M. Akssira, A. Sedqui, I. Mansour. Polyacetylenes, terpenoids and flavonoids from Bupleurum spinosum. Phytochemistry 48, 1237-1240, 1998. DOI: 10.1016/S0031-9422(97)00888-1. Phytochemistry.
DOI: 10.1016/s0031-9422(97)00888-1

Showing NP-Card for Tamarixetin (NP0044784)

MOL for NP0044784 (Tamarixetin)

3D MOL for NP0044784 (Tamarixetin)

3D SDF for NP0044784 (Tamarixetin)

3D-SDF for NP0044784 (Tamarixetin)

PDB for NP0044784 (Tamarixetin)

3D PDB for NP0044784 (Tamarixetin)

SMILES for NP0044784 (Tamarixetin)

INCHI for NP0044784 (Tamarixetin)

Structure for NP0044784 (Tamarixetin)

3D Structure for NP0044784 (Tamarixetin)