NP-MRD: Showing NP-Card for 1-O-(4-Coumaroyl)-beta-D-glucose (NP0044037)

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Record Information

Version

2.0

Created at

2021-11-12 23:44:26 UTC

Updated at

2026-02-12 12:01:37 UTC

NP-MRD ID

NP0044037

Natural Product DOI

https://doi.org/10.57994/6457

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-O-(4-Coumaroyl)-beta-D-glucose

Description

1-O-(4-Coumaroyl)-beta-D-glucose is found in Aruncus dioicus, Balanophora fungosa, Balanophora japonica, Camellia reticulata, Camellia sinensis , Populus balsamifera, Populus davidiana, Rheum rhabarbarum and Salacia chinensis. 1-O-(4-Coumaroyl)-beta-D-glucose was first documented in 2001 (PMID: 11409967).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 42  0  0  0  0  0  0  0  0999 V2000
   -0.1114   -2.7152   -0.5121 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207   -1.6221   -0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8816   -1.5081   -0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830   -0.3751    0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9088   -0.1741    0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3890    1.0907    0.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7160    1.3714    0.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6326    0.3923    0.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9872    0.7066    0.4187 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2148   -0.8631    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8453   -1.1368   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3581   -0.5265    0.0435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7758   -0.5454    0.0283 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2954    0.2709   -0.9480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6920    0.1275   -0.9081 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3355    0.5746   -2.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0696    1.9004   -2.4629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1570    0.9397    0.2756 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5470    1.0208    0.3279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6399    0.2729    1.5078 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7144    1.2209    2.5516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2602   -0.2505    1.4086 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2081   -1.4637    2.1321 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4937   -2.3697   -0.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8053    0.4679    0.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6834    1.8809    0.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0755    2.3713    0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6745   -0.0165    0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9119   -1.6600   -0.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5025   -2.1348   -0.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0687   -1.5981   -0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9254   -0.9198   -0.7138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4104    0.3855   -2.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9445   -0.0987   -2.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4730    2.1197   -3.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7078    1.9678    0.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8444    1.5758   -0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3697   -0.5328    1.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7998    1.6349    2.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5555    0.4295    1.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621   -2.2111    1.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  2  0
  7  8  1  0
  8 10  2  0
 10 11  1  0
 11  5  2  0
  5  4  1  0
  4  3  2  0
  3  2  1  0
  2  1  2  0
  2 12  1  0
 12 13  1  0
 13 22  1  0
 22 20  1  0
 20 18  1  0
 18 15  1  0
 15 14  1  0
 15 16  1  0
 16 17  1  0
 18 19  1  0
 20 21  1  0
 22 23  1  0
  8  9  1  0
  5  6  1  0
 14 13  1  0
  6 26  1  0
  7 27  1  0
 10 29  1  0
 11 30  1  0
  4 25  1  0
  3 24  1  0
 13 31  1  6
 22 40  1  1
 20 38  1  1
 18 36  1  6
 15 32  1  1
 16 33  1  0
 16 34  1  0
 17 35  1  0
 19 37  1  0
 21 39  1  0
 23 41  1  0
  9 28  1  0
M  END


  Mrv1652311132100442D          

 23 24  0  0  1  0            999 V2000
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    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
    0.0000   -2.4750    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
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  2  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
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  1  0  0  0
 18 19  1  0  0  0  0
 15 20  1  6  0  0  0
 14 21  1  1  0  0  0
 13 22  1  6  0  0  0
  3 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0044037

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@@H](OC(=O)\C=C\C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1

> <INCHI_KEY>
DSNCQKUYZOSARM-QVLXMGEUSA-N

> <FORMULA>
C15H18O8

> <MOLECULAR_WEIGHT>
326.2986

> <EXACT_MASS>
326.100167552

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
32.24598074080363

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

> <ALOGPS_LOGP>
-0.51

> <JCHEM_LOGP>
-0.20221382166666652

> <ALOGPS_LOGS>
-1.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.19635517909541

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.397567602150882

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810938220288765

> <JCHEM_POLAR_SURFACE_AREA>
136.68

> <JCHEM_REFRACTIVITY>
77.47200000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.20e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
p-coumaroyl-D-glucose

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 13-NOV-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-NOV-21         0                                  
HETATM    1  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   1.540   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  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -1.334 -11.550   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   23                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   17                                                  
CONECT   13   12   14   22                                                  
CONECT   14   13   15   21                                                  
CONECT   15   14   16   20                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16   12                                                       
CONECT   18   16   19                                                       
CONECT   19   18                                                            
CONECT   20   15                                                            
CONECT   21   14                                                            
CONECT   22   13                                                            
CONECT   23    3                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Value	Source
1-O-(4-Hydroxycinnamoyl)-beta-D-glucose	ChEBI
1-O-(trans-4-Coumaroyl)-beta-D-glucose	ChEBI
p-Coumaroyl-beta-D-glucose	ChEBI
1-O-(4-Coumaroyl)-beta-D-glucose	Kegg
1-O-(4-Hydroxycinnamoyl)-b-D-glucose	Generator
1-O-(4-Hydroxycinnamoyl)-β-D-glucose	Generator
1-O-(trans-4-Coumaroyl)-b-D-glucose	Generator
1-O-(trans-4-Coumaroyl)-β-D-glucose	Generator
p-Coumaroyl-b-D-glucose	Generator
p-Coumaroyl-β-D-glucose	Generator
1-O-(4-Coumaroyl)-b-D-glucose	Generator
1-O-(4-Coumaroyl)-β-D-glucose	Generator
trans-p-Coumaroyl b-D-glucopyranoside	Generator
trans-p-Coumaroyl β-D-glucopyranoside	Generator

Chemical Formula

C₁₅H₁₈O₈

Average Mass

326.2986 Da

Monoisotopic Mass

326.10017 Da

IUPAC Name

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

Traditional Name

p-coumaroyl-D-glucose

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@H](OC(=O)\C=C\C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1

InChI Key

DSNCQKUYZOSARM-QVLXMGEUSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 250.0, Methanol-d4, simulated)	[email protected]	Not Available	Not Available	2026-02-12	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 62.9, Methanol-d4, simulated)	[email protected]	Not Available	Not Available	2026-02-12	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Aruncus dioicus	LOTUS Database	35616633
Balanophora fungosa	LOTUS Database	35616633
Balanophora japonica	LOTUS Database	35616633
Camellia reticulata	LOTUS Database	35616633
Camellia sinensis	Plant	KNApSAcK
Populus balsamifera	LOTUS Database	35616633
Populus davidiana	LOTUS Database	35616633
Rheum rhabarbarum	LOTUS Database	35616633
Salacia chinensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxycinnamic acid glycosides. These are glycosylated hydoxycinnamic acids derivatives.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Hydroxycinnamic acids and derivatives

Direct Parent

Hydroxycinnamic acid glycosides

Alternative Parents

Substituents

Hydroxycinnamic acid glycoside
O-cinnamoyl glycoside
Coumaric acid ester
Coumaric acid or derivatives
Hexose monosaccharide
Cinnamic acid ester
Styrene
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Phenol
Fatty acyl
Benzenoid
Oxane
Monosaccharide
Monocyclic benzene moiety
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Secondary alcohol
Carboxylic acid ester
Organoheterocyclic compound
Oxacycle
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Acetal
Primary alcohol
Organic oxygen compound
Alcohol
Organic oxide
Carbonyl group
Hydrocarbon derivative
Organooxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

O-acyl carbohydrate (CHEBI:71498 )

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	-0.51	ALOGPS
logP	-0.2	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	9.4	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	136.68 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	77.47 m³·mol⁻¹	ChemAxon
Polarizability	32.25 Å³	ChemAxon
Number of Rings	2	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

FDB001845

KNApSAcK ID

C00032376

Chemspider ID

Not Available

KEGG Compound ID

C16827

BioCyc ID

CPD-8674

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14158117

PDB ID

Not Available

ChEBI ID

71498

Good Scents ID

Not Available

References

General References

Du Q, Xu Y, Li L, Zhao Y, Jerz G, Winterhalter P: Antioxidant constituents in the fruits of Luffa cylindrica (L.) Roem. J Agric Food Chem. 2006 Jun 14;54(12):4186-90. doi: 10.1021/jf0604790. [PubMed:16756345 ]
Baderschneider B, Winterhalter P: Isolation and characterization of novel benzoates, cinnamates, flavonoids, and lignans from Riesling wine and screening for antioxidant activity. J Agric Food Chem. 2001 Jun;49(6):2788-98. doi: 10.1021/jf010396d. [PubMed:11409967 ]
DOI: 10.1021/jf010396d
PMID: 11409967

Showing NP-Card for 1-O-(4-Coumaroyl)-beta-D-glucose (NP0044037)

MOL for NP0044037 (1-O-(4-Coumaroyl)-beta-D-glucose)

3D MOL for NP0044037 (1-O-(4-Coumaroyl)-beta-D-glucose)

3D SDF for NP0044037 (1-O-(4-Coumaroyl)-beta-D-glucose)

3D-SDF for NP0044037 (1-O-(4-Coumaroyl)-beta-D-glucose)

PDB for NP0044037 (1-O-(4-Coumaroyl)-beta-D-glucose)

3D PDB for NP0044037 (1-O-(4-Coumaroyl)-beta-D-glucose)

SMILES for NP0044037 (1-O-(4-Coumaroyl)-beta-D-glucose)

INCHI for NP0044037 (1-O-(4-Coumaroyl)-beta-D-glucose)

Structure for NP0044037 (1-O-(4-Coumaroyl)-beta-D-glucose)

3D Structure for NP0044037 (1-O-(4-Coumaroyl)-beta-D-glucose)