NP-MRD: Showing NP-Card for Aglaxiflorin D (NP0139555)

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Record Information

Version

1.0

Created at

2022-06-29 19:59:50 UTC

Updated at

2022-06-29 19:59:50 UTC

NP-MRD ID

NP0139555

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Aglaxiflorin D

Description

CHEMBL506039 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. Based on a literature review very few articles have been published on CHEMBL506039.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652306292221592D          

 47 52  0  0  1  0            999 V2000
    9.8298    2.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0049    2.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6002    1.9735    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8813    2.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1955    1.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6158    0.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3706    1.2455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9659    0.5265    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3097   -0.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7027   -0.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 47  1  6  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652306292221592D          

 47 52  0  0  1  0            999 V2000
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    5.9838   -0.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1464    0.4313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5877    1.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    1.7111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7827    0.8580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4959    1.6316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7123    1.8897    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8172    0.9400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3567    0.1515    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5387    0.0440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9447    0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0220    1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3493    1.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5993    1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5221    0.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1948    0.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7721    0.4066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0994    0.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265    2.7369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7538    3.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8084   -0.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6321   -0.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0839   -1.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7119   -1.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8881   -1.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4364   -1.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1636   -2.6099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7916   -3.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9929    0.9063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6049    2.7076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0684    2.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    3.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128    3.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2135    3.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4416    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8691    2.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3191    1.5688    0.0000 O   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  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 13  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 19 31  1  1  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 31 36  1  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
 18 39  1  1  0  0  0
 17 40  1  1  0  0  0
 16 41  1  6  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 41 46  1  0  0  0  0
  3 47  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0139555

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@@](C)(O)C(=O)N[C@@H]1CCCN1C(=O)[C@@H]1[C@@H](C2=CC=CC=C2)[C@]2(O)[C@H](O)[C@]1(OC1=C2C(OC)=CC(OC)=C1)C1=CC=C(OC)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C36H42N2O9/c1-6-34(2,42)33(41)37-27-13-10-18-38(27)31(39)30-28(21-11-8-7-9-12-21)35(43)29-25(46-5)19-24(45-4)20-26(29)47-36(30,32(35)40)22-14-16-23(44-3)17-15-22/h7-9,11-12,14-17,19-20,27-28,30,32,40,42-43H,6,10,13,18H2,1-5H3,(H,37,41)/t27-,28+,30-,32-,34+,35+,36-/m0/s1

> <INCHI_KEY>
PCTLEJMLOGCLOH-JZUOIRBSSA-N

> <FORMULA>
C36H42N2O9

> <MOLECULAR_WEIGHT>
646.737

> <EXACT_MASS>
646.28903094

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
89

> <JCHEM_AVERAGE_POLARIZABILITY>
68.16021450474769

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-N-[(2S)-1-[(1R,9R,10R,11S,12S)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-phenyl-8-oxatricyclo[7.2.1.0^{2,7}]dodeca-2(7),3,5-triene-10-carbonyl]pyrrolidin-2-yl]-2-hydroxy-2-methylbutanamide

> <ALOGPS_LOGP>
3.53

> <JCHEM_LOGP>
2.6201728846666654

> <ALOGPS_LOGS>
-4.31

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.325679333676199

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.686347738113565

> <JCHEM_PKA_STRONGEST_BASIC>
-2.174858597637805

> <JCHEM_POLAR_SURFACE_AREA>
147.02

> <JCHEM_REFRACTIVITY>
171.47749999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.17e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-N-[(2S)-1-[(1R,9R,10R,11S,12S)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-phenyl-8-oxatricyclo[7.2.1.0^{2,7}]dodeca-2(7),3,5-triene-10-carbonyl]pyrrolidin-2-yl]-2-hydroxy-2-methylbutanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JUN-22         0                                  
HETATM    1  C   UNK     0      18.349   5.043   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.809   5.026   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.054   3.684   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.712   4.439   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      15.298   2.342   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      16.083   1.017   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      13.758   2.325   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      13.003   0.983   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      13.645  -0.417   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.512  -1.460   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.170  -0.705   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      11.473   0.805   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      10.430   1.938   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      11.322   3.194   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       8.928   1.602   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.392   3.046   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.930   3.527   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.126   1.755   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.133   0.283   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.606   0.082   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.497   1.151   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.641   2.684   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.385   3.576   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.985   2.934   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.841   1.401   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.097   0.509   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       1.441   0.759   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       0.186   1.650   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       4.530   5.109   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       3.274   6.000   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.976  -1.006   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.513  -0.920   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      11.357  -2.209   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      10.662  -3.583   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.125  -3.669   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.281  -2.380   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      11.505  -4.872   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      10.811  -6.246   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       5.587   1.692   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       6.729   5.054   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       9.461   4.154   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       9.035   5.634   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      10.104   6.743   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      11.598   6.372   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      12.024   4.892   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      10.956   3.783   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      17.396   2.928   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5   47                                             
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    8   13                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   19                                                  
CONECT   16   15   17   41                                                  
CONECT   17   16   18   22   40                                             
CONECT   18   17   19   39                                                  
CONECT   19   18   15   20   31                                             
CONECT   20   19   21                                                       
CONECT   21   20   22   26                                                  
CONECT   22   21   17   23                                                  
CONECT   23   22   24   29                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25   21                                                       
CONECT   27   25   28                                                       
CONECT   28   27                                                            
CONECT   29   23   30                                                       
CONECT   30   29                                                            
CONECT   31   19   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   37                                                  
CONECT   35   34   36                                                       
CONECT   36   35   31                                                       
CONECT   37   34   38                                                       
CONECT   38   37                                                            
CONECT   39   18                                                            
CONECT   40   17                                                            
CONECT   41   16   42   46                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   41                                                       
CONECT   47    3                                                            
MASTER        0    0    0    0    0    0    0    0   47    0  104    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₄₂N₂O₉

Average Mass

646.7370 Da

Monoisotopic Mass

646.28903 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC[C@@](C)(O)C(=O)N[C@@H]1CCCN1C(=O)[C@@H]1[C@@H](C2=CC=CC=C2)[C@]2(O)[C@H](O)[C@]1(OC1=C2C(OC)=CC(OC)=C1)C1=CC=C(OC)C=C1

InChI Identifier

InChI=1S/C36H42N2O9/c1-6-34(2,42)33(41)37-27-13-10-18-38(27)31(39)30-28(21-11-8-7-9-12-21)35(43)29-25(46-5)19-24(45-4)20-26(29)47-36(30,32(35)40)22-14-16-23(44-3)17-15-22/h7-9,11-12,14-17,19-20,27-28,30,32,40,42-43H,6,10,13,18H2,1-5H3,(H,37,41)/t27-,28+,30-,32-,34+,35+,36-/m0/s1

InChI Key

PCTLEJMLOGCLOH-JZUOIRBSSA-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

Not Available

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

4p-methoxyflavonoid-skeleton
5-methoxyflavonoid-skeleton
7-methoxyflavonoid-skeleton
3-hydroxyflavonoid
4-hydroxyflavonoid
Hydroxyflavonoid
Flavan
Chromane
Benzopyran
1-benzopyran
Phenoxy compound
Anisole
Methoxybenzene
N-acylpyrrolidine
Phenol ether
Alkyl aryl ether
Monocyclic benzene moiety
Fatty amide
N-acyl-amine
Benzenoid
Fatty acyl
Cyclic alcohol
Pyrrolidine
Tertiary alcohol
Tertiary carboxylic acid amide
Secondary carboxylic acid amide
Secondary alcohol
Carboxamide group
Oxacycle
Ether
Carboxylic acid derivative
Azacycle
Organoheterocyclic compound
Organic oxide
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
Alcohol
Organic oxygen compound
Organopnictogen compound
Organonitrogen compound
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

24712009

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44583747

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Aglaxiflorin D (NP0139555)

MOL for NP0139555 (Aglaxiflorin D)

3D MOL for NP0139555 (Aglaxiflorin D)

3D SDF for NP0139555 (Aglaxiflorin D)

3D-SDF for NP0139555 (Aglaxiflorin D)

PDB for NP0139555 (Aglaxiflorin D)

3D PDB for NP0139555 (Aglaxiflorin D)

SMILES for NP0139555 (Aglaxiflorin D)

INCHI for NP0139555 (Aglaxiflorin D)

Structure for NP0139555 (Aglaxiflorin D)

3D Structure for NP0139555 (Aglaxiflorin D)