NP-MRD: Showing NP-Card for malonyldaidzin (NP0280689)

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Record Information

Version

2.0

Created at

2022-09-09 06:37:16 UTC

Updated at

2022-09-09 06:37:17 UTC

NP-MRD ID

NP0280689

Secondary Accession Numbers

None

Natural Product Identification

Common Name

malonyldaidzin

Description

Malonyldaidzin belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Malonyldaidzin is an extremely weak basic (essentially neutral) compound (based on its pKa). malonyldaidzin is found in Apis cerana, Glycine max and Pueraria montana. malonyldaidzin was first documented in 2014 (PMID: 25070365). A glycosyloxyisoflavone that is daidzein substituted by a 6-O-(carboxyacetyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage (PMID: 25053043).

Structure

MOL 3D MOL SDF PDB SMILES InChI

9913968
  Mrv0541 02271202052D          

 36 39  0  0  1  0            999 V2000
   10.0066   -0.3278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4420   -1.9723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5777   -0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0162   -2.8028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5841   -1.9832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4324    0.5028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -0.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8613    0.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -2.8282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8518    2.9832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5711    1.7485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -3.2407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7259   -1.5625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0130   -1.9778    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7227   -0.7375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2970   -1.5680    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2938   -0.7430    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4356   -0.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8648   -0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1173   -0.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8648   -1.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1453    0.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1173   -2.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1421    1.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -2.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -2.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5219   -1.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -2.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5219   -3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 17  1  0  0  0  0
 13  2  1  1  0  0  0
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  3 19  1  0  0  0  0
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 33 35  2  0  0  0  0
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 35 36  1  0  0  0  0
M  END

     RDKit          3D

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   -1.8010   -0.1438    0.3459 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.3332   -1.0391   -0.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7041   -0.7388   -0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9809   -1.4726   -1.5181 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7334   -0.1856    0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1316   -0.4186   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1138   -0.7225    0.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7826   -0.8457   -0.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1041   -1.0619   -1.2344 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6187   -0.8556    1.4303 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -4.8114   -1.8656    1.5236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1448   -0.8232   -0.5384 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6189   -1.4160   -1.7012 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0815    4.2133   -1.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5390    0.5017   -0.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3011    1.6070    0.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6131    2.5455   -0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7455    1.4133    1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6306   -0.7862   -0.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2176   -1.2407   -1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6041   -1.6613   -1.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8515   -0.7978    1.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1666   -1.1747    1.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8085   -1.2828   -0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0
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 30 29  1  0
 29 16  2  0
 16 15  1  0
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 31 33  1  0
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 21 46  1  0
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 26 50  1  0
 31 53  1  1
 32 54  1  0
M  END

9913968
  Mrv0541 02271202052D          

 36 39  0  0  1  0            999 V2000
   10.0066   -0.3278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4420   -1.9723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5777   -0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0162   -2.8028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5841   -1.9832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4324    0.5028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -0.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6 22  1  0  0  0  0
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 23 24  2  0  0  0  0
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 30 33  1  0  0  0  0
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 35 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0280689

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@H]1[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27)/t17-,21-,22+,23-,24-/m1/s1

> <INCHI_KEY>
MTXMHWSVSZKYBT-ASDZUOGYSA-N

> <FORMULA>
C24H22O12

> <MOLECULAR_WEIGHT>
502.4243

> <EXACT_MASS>
502.111126168

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
48.321718267097154

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid

> <ALOGPS_LOGP>
0.80

> <JCHEM_LOGP>
0.7957234743333335

> <ALOGPS_LOGS>
-3.14

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.962959824287042

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.379606202798238

> <JCHEM_PKA_STRONGEST_BASIC>
-3.649103025377329

> <JCHEM_POLAR_SURFACE_AREA>
189.27999999999997

> <JCHEM_REFRACTIVITY>
117.34200000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.62e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
malonyldaidzin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 9913968                                           
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-FEB-12         0                                  
HETATM    1  O   UNK     0      18.679  -0.612   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      21.358  -3.682   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      16.012  -0.622   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      18.697  -5.232   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      16.024  -3.702   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      21.340   0.939   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      10.575  -0.659   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      24.008   0.949   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      10.575  -5.279   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      23.990   5.569   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      25.333   3.264   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       3.907  -6.049   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      20.022  -2.917   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      18.691  -3.692   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      20.016  -1.377   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      17.354  -2.927   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      17.348  -1.387   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      21.346  -0.601   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.681  -1.397   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.286  -0.606   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      14.681  -3.001   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      22.671   1.714   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.909  -1.429   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      11.909  -2.969   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      13.286  -3.793   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      22.665   3.254   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.575  -3.739   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.242  -2.969   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.242  -1.429   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.908  -3.739   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      23.996   4.029   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.574  -2.969   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.908  -5.279   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.241  -3.739   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.574  -6.049   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.241  -5.279   0.000  0.00  0.00           C+0
CONECT    1   15   17                                                       
CONECT    2   13                                                            
CONECT    3   17   19                                                       
CONECT    4   14                                                            
CONECT    5   16                                                            
CONECT    6   18   22                                                       
CONECT    7   23   29                                                       
CONECT    8   22                                                            
CONECT    9   27                                                            
CONECT   10   31                                                            
CONECT   11   31                                                            
CONECT   12   36                                                            
CONECT   13    2   14   15                                                  
CONECT   14    4   13   16                                                  
CONECT   15    1   13   18                                                  
CONECT   16    5   14   17                                                  
CONECT   17    1    3   16                                                  
CONECT   18    6   15                                                       
CONECT   19    3   20   21                                                  
CONECT   20   19   23                                                       
CONECT   21   19   25                                                       
CONECT   22    6    8   26                                                  
CONECT   23    7   20   24                                                  
CONECT   24   23   25   27                                                  
CONECT   25   21   24                                                       
CONECT   26   22   31                                                       
CONECT   27    9   24   28                                                  
CONECT   28   27   29   30                                                  
CONECT   29    7   28                                                       
CONECT   30   28   32   33                                                  
CONECT   31   10   11   26                                                  
CONECT   32   30   34                                                       
CONECT   33   30   35                                                       
CONECT   34   32   36                                                       
CONECT   35   33   36                                                       
CONECT   36   12   34   35                                                  
MASTER        0    0    0    0    0    0    0    0   36    0   78    0
END

View in JSmol

Synonyms

Value	Source
6''-O-Malonyldaidzin	MeSH

Chemical Formula

C₂₄H₂₂O₁₂

Average Mass

502.4243 Da

Monoisotopic Mass

502.11113 Da

IUPAC Name

3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid

Traditional Name

malonyldaidzin

CAS Registry Number

Not Available

SMILES

O[C@H]1[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)[C@@H]1O

InChI Identifier

InChI=1S/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27)/t17-,21-,22+,23-,24-/m1/s1

InChI Key

MTXMHWSVSZKYBT-ASDZUOGYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Apis cerana	LOTUS Database	35616633
Glycine max	LOTUS Database	35616633
Pueraria montana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflavonoid O-glycosides

Direct Parent

Isoflavonoid O-glycosides

Alternative Parents

Substituents

Isoflavonoid o-glycoside
Isoflavonoid-7-o-glycoside
Isoflavone
Phenolic glycoside
O-glycosyl compound
Chromone
Glycosyl compound
Benzopyran
1-benzopyran
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Monocyclic benzene moiety
Monosaccharide
Dicarboxylic acid or derivatives
Pyran
1,3-dicarbonyl compound
Benzenoid
Oxane
Heteroaromatic compound
Secondary alcohol
Carboxylic acid ester
Acetal
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Polyol
Alcohol
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Carbonyl group
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

monosaccharide derivative (CHEBI:80371 )
hydroxyisoflavone (CHEBI:80371 )
malonate ester (CHEBI:80371 )
glycosyloxyisoflavone (CHEBI:80371 )
isoflavones (C16191 )

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	0.8	ALOGPS
logP	0.8	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	3.38	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	189.28 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	117.34 m³·mol⁻¹	ChemAxon
Polarizability	48.32 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00019384

Chemspider ID

Not Available

KEGG Compound ID

C16191

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9913968

PDB ID

Not Available

ChEBI ID

80371

Good Scents ID

Not Available

References

General References

Quinhone A Junior, Ida EI: Profile of the contents of different forms of soybean isoflavones and the effect of germination time on these compounds and the physical parameters in soybean sprouts. Food Chem. 2015 Jan 1;166:173-178. doi: 10.1016/j.foodchem.2014.06.012. Epub 2014 Jun 12. [PubMed:25053043 ]
Quinhone Junior A, Ida EI: Isoflavones of the soybean components and the effect of germination time in the cotyledons and embryonic axis. J Agric Food Chem. 2014 Aug 20;62(33):8452-9. doi: 10.1021/jf502927m. Epub 2014 Aug 12. [PubMed:25070365 ]
LOTUS database [Link]

Showing NP-Card for malonyldaidzin (NP0280689)

MOL for NP0280689 (malonyldaidzin)

3D MOL for NP0280689 (malonyldaidzin)

3D SDF for NP0280689 (malonyldaidzin)

3D-SDF for NP0280689 (malonyldaidzin)

PDB for NP0280689 (malonyldaidzin)

3D PDB for NP0280689 (malonyldaidzin)

SMILES for NP0280689 (malonyldaidzin)

INCHI for NP0280689 (malonyldaidzin)

Structure for NP0280689 (malonyldaidzin)

3D Structure for NP0280689 (malonyldaidzin)