NP-MRD: Showing NP-Card for 5-Hydroxy-3, 7,3',4'-tetramethoxyflavone (NP0043818)

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Record Information

Version

2.0

Created at

2021-06-22 17:19:08 UTC

Updated at

2021-08-20 00:00:44 UTC

NP-MRD ID

NP0043818

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-Hydroxy-3, 7,3',4'-tetramethoxyflavone

Description

Retusin belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, retusin is considered to be a flavonoid. Retusin is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. 5-Hydroxy-3, 7,3',4'-tetramethoxyflavone is found in Boesenbergia rotunda, Chrysosplenium grayanum, Chrysothamnus stylosus, Cistus albidus, Cistus laurifolius, Cistus parviflorus, Citrus sinensis , Crotalaria retusa, Dipteryx odorata, Hazardia squarrosa, Kaempferia parviflora, Larrea divaricata , Larrea tridentata , Maackia amurensis, Amomum koenigii, Physalis coztomatl, Pogostemon cablin, Siegesbeckia jorullensis, Siegesbeckia orientalis , Solanum pubescens, Spiranthes sinensis, Tillandsia purpurea and Varronia multispicata. 5-Hydroxy-3, 7,3',4'-tetramethoxyflavone was first documented in 2017 (PMID: 28572959). Based on a literature review a small amount of articles have been published on Retusin (PMID: 34305198) (PMID: 32148963).

Structure

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


  Mrv1652306222119422D          

 26 28  0  0  0  0            999 V2000
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    5.0013   -1.2375    0.0000 C   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
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 22  1  0  0  0  0
 10 23  1  0  0  0  0
 23 24  1  0  0  0  0
  4 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END

NP0043818
     RDKit          3D

 44 46  0  0  0  0  0  0  0  0999 V2000
    5.3950    2.8258    0.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    1.4771    0.8592 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6680    0.5134    0.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9300   -0.8183    1.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9344   -1.7808    1.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1857   -3.1297    1.2634 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6489   -1.4062    0.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5843   -2.2776    0.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7786   -3.5008    0.8588 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3096   -1.7887    0.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7159   -2.7034    0.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9563   -3.3812   -0.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1025   -0.4582    0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1715    0.1593   -0.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1374    1.4928   -0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2679    2.2147   -0.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5114    1.6265   -0.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6881    2.2734   -1.1779 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8105   -0.2854   -0.3696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8673   -1.6298    0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4047   -0.4137   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923    0.3200    0.1827 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3727   -0.0871    0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3893    0.8697    0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8297    3.3070    1.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7881    2.9064   -0.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9222   -1.1175    1.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517   -3.3968    1.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2977   -4.2696   -1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0039   -3.7013   -0.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171   -2.6532   -1.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1839    1.9830   -0.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2245    3.2438   -1.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5930   -1.7793    1.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9180   -2.0128   -0.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5128   -1.4122    0.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345    1.8989    0.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 13 24  1  0
 24 25  1  0
 25 26  2  0
 26  3  1  0
 25  7  1  0
 23 14  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  6 31  1  0
 12 32  1  0
 12 33  1  0
 12 34  1  0
 15 35  1  0
 16 36  1  0
 19 37  1  0
 19 38  1  0
 19 39  1  0
 22 40  1  0
 22 41  1  0
 22 42  1  0
 23 43  1  0
 26 44  1  0
M  END


  Mrv1652306222119422D          

 26 28  0  0  0  0            999 V2000
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    5.0013   -1.2375    0.0000 C   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
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 22  1  0  0  0  0
 10 23  1  0  0  0  0
 23 24  1  0  0  0  0
  4 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0043818

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O)=C2C(=O)C(OC)=C(OC2=C1)C1=CC(OC)=C(OC)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3

> <INCHI_KEY>
HHGPYJLEJGNWJA-UHFFFAOYSA-N

> <FORMULA>
C19H18O7

> <MOLECULAR_WEIGHT>
358.342

> <EXACT_MASS>
358.10525293

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
36.712650219658215

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
3.31

> <JCHEM_LOGP>
2.706809021333333

> <ALOGPS_LOGS>
-4.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.155926816769509

> <JCHEM_PKA_STRONGEST_BASIC>
-4.282650017913171

> <JCHEM_POLAR_SURFACE_AREA>
83.45000000000002

> <JCHEM_REFRACTIVITY>
95.06030000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.01e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
retusin (flavonol)

> <JCHEM_VEBER_RULE>
0

$$$$

NP0043818
     RDKit          3D

 44 46  0  0  0  0  0  0  0  0999 V2000
    5.3950    2.8258    0.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    1.4771    0.8592 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6680    0.5134    0.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9300   -0.8183    1.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9344   -1.7808    1.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1857   -3.1297    1.2634 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6489   -1.4062    0.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5843   -2.2776    0.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7786   -3.5008    0.8588 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7159   -2.7034    0.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1025   -0.4582    0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1715    0.1593   -0.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1374    1.4928   -0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2679    2.2147   -0.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5114    1.6265   -0.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6881    2.2734   -1.1779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8346    3.5885   -1.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5635    0.3139   -0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8105   -0.2854   -0.3696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8673   -1.6298    0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4047   -0.4137   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923    0.3200    0.1827 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3727   -0.0871    0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3893    0.8697    0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8297    3.3070    1.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7881    2.9064   -0.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3413    3.3987    0.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9222   -1.1175    1.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517   -3.3968    1.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2977   -4.2696   -1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0039   -3.7013   -0.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171   -2.6532   -1.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1839    1.9830   -0.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2245    3.2438   -1.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7893    4.0384   -1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8903    3.5901   -2.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9983    4.2410   -1.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2645   -2.2788   -0.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5930   -1.7793    1.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9180   -2.0128   -0.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5128   -1.4122    0.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345    1.8989    0.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 13 24  1  0
 24 25  1  0
 25 26  2  0
 26  3  1  0
 25  7  1  0
 23 14  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  6 31  1  0
 12 32  1  0
 12 33  1  0
 12 34  1  0
 15 35  1  0
 16 36  1  0
 19 37  1  0
 19 38  1  0
 19 39  1  0
 22 40  1  0
 22 41  1  0
 22 42  1  0
 23 43  1  0
 26 44  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      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5   25                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3                                                       
CONECT    9    6   10   19                                                  
CONECT   10    9   11   23                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   18                                                  
CONECT   14   13   15   22                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   20                                                  
CONECT   17   16   18                                                       
CONECT   18   17   13   19                                                  
CONECT   19   18    9                                                       
CONECT   20   16   21                                                       
CONECT   21   20                                                            
CONECT   22   14                                                            
CONECT   23   10   24                                                       
CONECT   24   23                                                            
CONECT   25    4   26                                                       
CONECT   26   25                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   56    0
END

COMPND    NP0043818
HETATM    1  C1  UNL     1       5.395   2.826   0.608  1.00  0.00           C  
HETATM    2  O1  UNL     1       5.664   1.477   0.859  1.00  0.00           O  
HETATM    3  C2  UNL     1       4.668   0.513   0.813  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.930  -0.818   1.061  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.934  -1.781   1.015  1.00  0.00           C  
HETATM    6  O2  UNL     1       4.186  -3.130   1.263  1.00  0.00           O  
HETATM    7  C5  UNL     1       2.649  -1.406   0.715  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.584  -2.278   0.641  1.00  0.00           C  
HETATM    9  O3  UNL     1       1.779  -3.501   0.859  1.00  0.00           O  
HETATM   10  C7  UNL     1       0.310  -1.789   0.325  1.00  0.00           C  
HETATM   11  O4  UNL     1      -0.716  -2.703   0.258  1.00  0.00           O  
HETATM   12  C8  UNL     1      -0.956  -3.381  -0.991  1.00  0.00           C  
HETATM   13  C9  UNL     1       0.102  -0.458   0.091  1.00  0.00           C  
HETATM   14  C10 UNL     1      -1.172   0.159  -0.241  1.00  0.00           C  
HETATM   15  C11 UNL     1      -1.137   1.493  -0.664  1.00  0.00           C  
HETATM   16  C12 UNL     1      -2.268   2.215  -0.978  1.00  0.00           C  
HETATM   17  C13 UNL     1      -3.511   1.626  -0.883  1.00  0.00           C  
HETATM   18  O5  UNL     1      -4.688   2.273  -1.178  1.00  0.00           O  
HETATM   19  C14 UNL     1      -4.835   3.589  -1.609  1.00  0.00           C  
HETATM   20  C15 UNL     1      -3.564   0.314  -0.468  1.00  0.00           C  
HETATM   21  O6  UNL     1      -4.811  -0.285  -0.370  1.00  0.00           O  
HETATM   22  C16 UNL     1      -4.867  -1.630   0.056  1.00  0.00           C  
HETATM   23  C17 UNL     1      -2.405  -0.414  -0.149  1.00  0.00           C  
HETATM   24  O7  UNL     1       1.192   0.320   0.183  1.00  0.00           O  
HETATM   25  C18 UNL     1       2.373  -0.087   0.467  1.00  0.00           C  
HETATM   26  C19 UNL     1       3.389   0.870   0.518  1.00  0.00           C  
HETATM   27  H1  UNL     1       4.830   3.307   1.425  1.00  0.00           H  
HETATM   28  H2  UNL     1       4.788   2.906  -0.319  1.00  0.00           H  
HETATM   29  H3  UNL     1       6.341   3.399   0.431  1.00  0.00           H  
HETATM   30  H4  UNL     1       5.922  -1.117   1.294  1.00  0.00           H  
HETATM   31  H5  UNL     1       5.152  -3.397   1.487  1.00  0.00           H  
HETATM   32  H6  UNL     1      -0.298  -4.270  -1.076  1.00  0.00           H  
HETATM   33  H7  UNL     1      -2.004  -3.701  -0.960  1.00  0.00           H  
HETATM   34  H8  UNL     1      -0.717  -2.653  -1.777  1.00  0.00           H  
HETATM   35  H9  UNL     1      -0.184   1.983  -0.750  1.00  0.00           H  
HETATM   36  H10 UNL     1      -2.224   3.244  -1.304  1.00  0.00           H  
HETATM   37  H11 UNL     1      -5.789   4.038  -1.237  1.00  0.00           H  
HETATM   38  H12 UNL     1      -4.890   3.590  -2.729  1.00  0.00           H  
HETATM   39  H13 UNL     1      -3.998   4.241  -1.323  1.00  0.00           H  
HETATM   40  H14 UNL     1      -4.264  -2.279  -0.642  1.00  0.00           H  
HETATM   41  H15 UNL     1      -4.593  -1.779   1.098  1.00  0.00           H  
HETATM   42  H16 UNL     1      -5.918  -2.013  -0.063  1.00  0.00           H  
HETATM   43  H17 UNL     1      -2.513  -1.412   0.187  1.00  0.00           H  
HETATM   44  H18 UNL     1       3.134   1.899   0.317  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3
CONECT    3    4    4   26
CONECT    4    5   30
CONECT    5    6    7    7
CONECT    6   31
CONECT    7    8   25
CONECT    8    9    9   10
CONECT   10   11   13   13
CONECT   11   12
CONECT   12   32   33   34
CONECT   13   14   24
CONECT   14   15   15   23
CONECT   15   16   35
CONECT   16   17   17   36
CONECT   17   18   20
CONECT   18   19
CONECT   19   37   38   39
CONECT   20   21   23   23
CONECT   21   22
CONECT   22   40   41   42
CONECT   23   43
CONECT   24   25
CONECT   25   26   26
CONECT   26   44
END

NP0043818
     RDKit          3D

44 46  0  0  0  0  0  0  0  0999 V2000
    5.3950    2.8258    0.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    1.4771    0.8592 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6680    0.5134    0.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9300   -0.8183    1.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9344   -1.7808    1.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1857   -3.1297    1.2634 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6489   -1.4062    0.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5843   -2.2776    0.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7786   -3.5008    0.8588 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3096   -1.7887    0.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7159   -2.7034    0.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9563   -3.3812   -0.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1025   -0.4582    0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1715    0.1593   -0.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1374    1.4928   -0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2679    2.2147   -0.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5114    1.6265   -0.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6881    2.2734   -1.1779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8346    3.5885   -1.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5635    0.3139   -0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8105   -0.2854   -0.3696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8673   -1.6298    0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4047   -0.4137   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923    0.3200    0.1827 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3727   -0.0871    0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3893    0.8697    0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8297    3.3070    1.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7881    2.9064   -0.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3413    3.3987    0.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9222   -1.1175    1.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517   -3.3968    1.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2977   -4.2696   -1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0039   -3.7013   -0.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171   -2.6532   -1.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1839    1.9830   -0.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2245    3.2438   -1.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7893    4.0384   -1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8903    3.5901   -2.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9983    4.2410   -1.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2645   -2.2788   -0.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5930   -1.7793    1.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9180   -2.0128   -0.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5128   -1.4122    0.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345    1.8989    0.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 13 24  1  0
 24 25  1  0
 25 26  2  0
 26  3  1  0
 25  7  1  0
 23 14  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  6 31  1  0
 12 32  1  0
 12 33  1  0
 12 34  1  0
 15 35  1  0
 16 36  1  0
 19 37  1  0
 19 38  1  0
 19 39  1  0
 22 40  1  0
 22 41  1  0
 22 42  1  0
 23 43  1  0
 26 44  1  0
M  END

View in JSmol

Synonyms

Value	Source
2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one	ChEBI
3,3',4',7-O-Tetramethylquercetin	ChEBI
3,3',4',7-Tetramethylquercetin	ChEBI
3,7,3',4'-Tetramethylquercetin	ChEBI
Quercetin 3,3',4',7-tetramethyl ether	ChEBI
Quercetin 3,7,3',4'-tetramethyl ether	ChEBI
Retusine	ChEBI
5-Hydroxy-3,7,3',4'-tetramethoxyflavone	HMDB
3,7,3',4'-Tetra-O-methylquercetin	HMDB
Retusin	ChEBI

Chemical Formula

C₁₉H₁₈O₇

Average Mass

358.3420 Da

Monoisotopic Mass

358.10525 Da

IUPAC Name

2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one

Traditional Name

retusin (flavonol)

CAS Registry Number

Not Available

SMILES

COC1=CC(O)=C2C(=O)C(OC)=C(OC2=C1)C1=CC(OC)=C(OC)C=C1

InChI Identifier

InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3

InChI Key

HHGPYJLEJGNWJA-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Chloroform-d, 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
Aeonium lindleyi	KNApSAcK Database	22123792
Aframomum giganteum	KNApSAcK Database	22123792
Agastache rugosus	KNApSAcK Database	22123792
Amomum koenigii	KNApSAcK Database	22123792
Ariocarpus retusus	KNApSAcK Database	22123792
Artemisia annua	KNApSAcK Database	22123792
Artemisia rupestris	KNApSAcK Database	22123792
Betula nigra	KNApSAcK Database	22123792
Boesenbergia rotunda	LOTUS Database	35616633
Brickellia eupatorioides	KNApSAcK Database	22123792
Bridelia ferruginea	KNApSAcK Database	22123792
Chrysosplenium grayanum	LOTUS Database	35616633
Chrysothamnus stylosus	LOTUS Database	35616633
Cistus albidus	LOTUS Database	35616633
Cistus laurifolius	LOTUS Database	35616633
Cistus parviflorus	LOTUS Database	35616633
Citrus sinensis	KNApSAcK Database	22123792
Citrus X sinensis (L.) Osbeck (pro. sp.)	Plant	KNApSAcK
Cordia multispicata	KNApSAcK Database	22123792
Crotalaria retusa	LOTUS Database	35616633
Cryptomeria japonica	KNApSAcK Database	22123792
Dalbergia retusa	KNApSAcK Database	22123792
Dipteryx odorata	LOTUS Database	35616633
Eucryphia lucida	KNApSAcK Database	22123792
Eucryphia milliganii	KNApSAcK Database	22123792
Evodia merrillii	KNApSAcK Database	22123792
Geranium macrorrhizum L.	KNApSAcK Database	22123792
Grindelia nana	KNApSAcK Database	22123792
Grindelia tenella	KNApSAcK Database	22123792
Hazardia squarrosa	LOTUS Database	35616633
Kaempferia parviflora	LOTUS Database	35616633
Larrea cuneifolia	KNApSAcK Database	22123792
Larrea divaricata	Plant	KNApSAcK
Larrea tridentata	Plant	KNApSAcK
Maackia amurensis	LOTUS Database	35616633
Macaranga triloba	KNApSAcK Database	22123792
Meistera koenigii	Linigton's dataset	Hui Dong, Yu-Lin Gou, Shu-Geng Cao, Shao-Xing Chen, Keng-Yeow Sim, Swee-Hock Goh, R. Manjunatha K...
Melicope semecarpifolia	KNApSAcK Database	22123792
Mirabilis viscosa	KNApSAcK Database	22123792
Nothofagus cunninghamii	KNApSAcK Database	22123792
Parthenium spp.	KNApSAcK Database	22123792
Physalis coztomatl	LOTUS Database	35616633
Pogostemon cablin	LOTUS Database	35616633
Siegesbeckia jorullensis	-	KNApSAcK
Sigesbeckia orientalis	-	KNApSAcK
Solanum paludosum	KNApSAcK Database	22123792
Solanum pubescens	LOTUS Database	35616633
Spiranthes australis (R.BROWN) LINDL.	KNApSAcK Database	22123792
Spiranthes sinensis	LOTUS Database	35616633
Tillandsia purpurea	LOTUS Database	35616633
Urolepis hecatantha	KNApSAcK Database	22123792
Varronia multispicata	LOTUS Database	35616633
Xanthocephalum gymnospermoides	KNApSAcK Database	22123792

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

O-methylated flavonoids

Direct Parent

7-O-methylated flavonoids

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Flavones and Flavonols (LMPK12112770 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	81.65 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	3.31	ALOGPS
logP	2.71	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	7.16	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	83.45 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	95.06 m³·mol⁻¹	ChemAxon
Polarizability	36.71 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

HMDB0257186

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB017112

KNApSAcK ID

C00004653

Chemspider ID

4508983

KEGG Compound ID

Not Available

BioCyc ID

CPD-14852

BiGG ID

Not Available

Wikipedia Link

Retusin_(flavonol)

METLIN ID

Not Available

PubChem Compound

5352005

PDB ID

Not Available

ChEBI ID

144861

Good Scents ID

rw1504641

References

General References

Leal CM, Leitao SG, Sausset R, Mendonca SC, Nascimento PHA, de Araujo R Cheohen CF, Esteves MEA, Leal da Silva M, Gondim TS, Monteiro MES, Tucci AR, Fintelman-Rodrigues N, Siqueira MM, Miranda MD, Costa FN, Simas RC, Leitao GG: Flavonoids from Siparuna cristata as Potential Inhibitors of SARS-CoV-2 Replication. Rev Bras Farmacogn. 2021 Jul 20:1-9. doi: 10.1007/s43450-021-00162-5. [PubMed:34305198 ]
Phan MG, Do TVH, Nguyen QB: Methylated Flavonols from Amomum koenigii J.F.Gmel. and Their Antimicrobial and Antioxidant Activities. Biochem Res Int. 2020 Feb 18;2020:4812312. doi: 10.1155/2020/4812312. eCollection 2020. [PubMed:32148963 ]
Ikewuchi CC, Ikewuchi JC, Ifeanacho MO: Bioactive phytochemicals in an aqueous extract of the leaves of Talinum triangulare. Food Sci Nutr. 2016 Dec 2;5(3):696-701. doi: 10.1002/fsn3.449. eCollection 2017 May. [PubMed:28572959 ]
Hui Dong, Yu-Lin Gou, Shu-Geng Cao, Shao-Xing Chen, Keng-Yeow Sim, Swee-Hock Goh, R. Manjunatha Kini (1999). Hui Dong, Yu-Lin Gou, Shu-Geng Cao, Shao-Xing Chen, Keng-Yeow Sim, Swee-Hock Goh, R. Manjunatha Kini. Eicosenones and methylated flavonols from Amomumkoenigii. Phytochemistry Volume 50, Issue 5, 10 March 1999, Pages 899-902 DOI: 10.1016/S0031-9422(98)00622-0. Phytochemistry.

Showing NP-Card for 5-Hydroxy-3, 7,3',4'-tetramethoxyflavone (NP0043818)

MOL for NP0043818 (5-Hydroxy-3, 7,3',4'-tetramethoxyflavone)

3D MOL for NP0043818 (5-Hydroxy-3, 7,3',4'-tetramethoxyflavone)

3D SDF for NP0043818 (5-Hydroxy-3, 7,3',4'-tetramethoxyflavone)

3D-SDF for NP0043818 (5-Hydroxy-3, 7,3',4'-tetramethoxyflavone)

PDB for NP0043818 (5-Hydroxy-3, 7,3',4'-tetramethoxyflavone)

3D PDB for NP0043818 (5-Hydroxy-3, 7,3',4'-tetramethoxyflavone)

SMILES for NP0043818 (5-Hydroxy-3, 7,3',4'-tetramethoxyflavone)

INCHI for NP0043818 (5-Hydroxy-3, 7,3',4'-tetramethoxyflavone)

Structure for NP0043818 (5-Hydroxy-3, 7,3',4'-tetramethoxyflavone)

3D Structure for NP0043818 (5-Hydroxy-3, 7,3',4'-tetramethoxyflavone)