NP-MRD: Showing NP-Card for {3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate (NP0185567)

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Record Information

Version

1.0

Created at

2022-09-04 01:01:46 UTC

Updated at

2022-09-04 01:01:46 UTC

NP-MRD ID

NP0185567

Secondary Accession Numbers

None

Natural Product Identification

Common Name

{3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate

Description

{3,4,5-Trihydroxy-6-[(5-hydroxy-4-methyl-2H-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid. {3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate is found in Lilium martagon. It was first documented in 2022 (PMID: 36057864). Based on a literature review a significant number of articles have been published on {3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2H-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate (PMID: 36057863) (PMID: 36057862) (PMID: 36057861) (PMID: 36057860).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042203012D          

 30 32  0  0  0  0            999 V2000
    4.8946   -5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -6.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5620   -6.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071   -7.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7920   -8.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4565   -8.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9414   -9.6072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6058  -10.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0907  -11.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7552  -11.7820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2401  -12.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0606  -12.3632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9046  -13.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3895  -13.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0539  -14.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5388  -15.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2033  -16.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3828  -16.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0472  -16.8852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8979  -15.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2334  -14.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7853  -10.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4498  -11.2008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3004   -9.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4799   -9.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6360   -9.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1511   -8.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4821   -7.5187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2272   -6.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4425   -6.4791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  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  2  0  0  0  0
 13 11  1  4  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
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
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 15 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  0  0  0  0
  4 28  1  0  0  0  0
 28 29  2  0  0  0  0
  2 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END

     RDKit          3D

 53 55  0  0  0  0  0  0  0  0999 V2000
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   -6.1619    0.6650   -1.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6215    0.1906   -0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1696    0.2095   -0.4813 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5844   -1.0444   -0.3120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6233   -0.9405    0.6900 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.5233    0.4381   -1.7617 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8443    2.0281   -1.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5450    2.3082   -0.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6874   -1.2430    2.5299 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2630    0.0676    2.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1120   -1.3274    3.0467 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5970   -0.0820    3.4421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9591   -1.8275    1.8816 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -3.9638    0.7436   -1.7937 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0927    1.0070   -2.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2727    1.5446   -3.6246 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0564   -1.8405    3.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2015   -2.0039    3.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1585    1.3822   -4.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
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 26  6  1  0
 21 15  1  0
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 22 47  1  1
 23 48  1  0
 24 49  1  1
 25 50  1  0
 26 51  1  6
 27 52  1  0
 30 53  1  0
M  END


  Mrv1652309042203012D          

 30 32  0  0  0  0            999 V2000
    4.8946   -5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -6.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5620   -6.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071   -7.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3828  -16.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8979  -15.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
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 15 21  1  0  0  0  0
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 29 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0185567

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC(OC2OC(COC(=O)C=CC3=CC=C(O)C=C3)C(O)C(O)C2O)N=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C20H23NO9/c1-10-8-14(21-19(10)27)30-20-18(26)17(25)16(24)13(29-20)9-28-15(23)7-4-11-2-5-12(22)6-3-11/h2-8,13-14,16-18,20,22,24-26H,9H2,1H3,(H,21,27)

> <INCHI_KEY>
YPXVGDYRVVGALO-UHFFFAOYSA-N

> <FORMULA>
C20H23NO9

> <MOLECULAR_WEIGHT>
421.402

> <EXACT_MASS>
421.137281325

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
41.9265589568802

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
{3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2H-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate

> <JCHEM_LOGP>
1.3845420766666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.398020638554888

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.415135149622101

> <JCHEM_PKA_STRONGEST_BASIC>
-0.548313717218836

> <JCHEM_POLAR_SURFACE_AREA>
158.27

> <JCHEM_REFRACTIVITY>
103.0678

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
{3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2H-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       9.137 -10.125   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.137 -11.665   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.382 -12.570   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.907 -14.035   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      10.812 -15.281   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      10.185 -16.688   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      11.091 -17.933   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      10.464 -19.340   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.369 -20.586   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      10.743 -21.993   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      11.648 -23.239   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      13.180 -23.078   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      11.022 -24.646   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      11.927 -25.892   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.301 -27.299   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.206 -28.544   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.579 -29.951   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.048 -30.112   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       9.422 -31.519   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       9.143 -28.866   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.769 -27.460   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.933 -19.501   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       8.306 -20.908   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       8.027 -18.255   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       6.496 -18.416   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       8.654 -16.849   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       7.749 -15.603   0.000  0.00  0.00           O+0
HETATM   28  N   UNK     0       8.367 -14.035   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0       7.891 -12.570   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.426 -12.094   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   29                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   28                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   26                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   22                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   21                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   15                                                       
CONECT   22    8   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24    6   27                                                  
CONECT   27   26                                                            
CONECT   28    4   29                                                       
CONECT   29   28    2   30                                                  
CONECT   30   29                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   64    0
END

View in JSmol

Synonyms

Value	Source
{3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2H-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoic acid	Generator

Chemical Formula

C₂₀H₂₃NO₉

Average Mass

421.4020 Da

Monoisotopic Mass

421.13728 Da

IUPAC Name

{3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2H-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate

Traditional Name

{3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2H-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate

CAS Registry Number

Not Available

SMILES

CC1=CC(OC2OC(COC(=O)C=CC3=CC=C(O)C=C3)C(O)C(O)C2O)N=C1O

InChI Identifier

InChI=1S/C20H23NO9/c1-10-8-14(21-19(10)27)30-20-18(26)17(25)16(24)13(29-20)9-28-15(23)7-4-11-2-5-12(22)6-3-11/h2-8,13-14,16-18,20,22,24-26H,9H2,1H3,(H,21,27)

InChI Key

YPXVGDYRVVGALO-UHFFFAOYSA-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
Lilium martagon	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Hydroxycinnamic acids and derivatives

Direct Parent

Coumaric acid esters

Alternative Parents

Substituents

Coumaric acid ester
Coumaric acid or derivatives
Cinnamic acid ester
Glycosyl compound
O-glycosyl compound
Styrene
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Phenol
Fatty acyl
Benzenoid
Monocyclic benzene moiety
Monosaccharide
Oxane
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Pyrroline
Carboxamide group
Carboxylic acid ester
Lactam
Secondary carboxylic acid amide
Secondary alcohol
Polyol
Oxacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Azacycle
Acetal
Carbonyl group
Alcohol
Organic nitrogen compound
Organic oxygen compound
Organic oxide
Organopnictogen compound
Organooxygen compound
Hydrocarbon derivative
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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
logP	1.38	ChemAxon
pKa (Strongest Acidic)	5.42	ChemAxon
pKa (Strongest Basic)	-0.55	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	158.27 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	103.07 m³·mol⁻¹	ChemAxon
Polarizability	41.93 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	Yes	ChemAxon

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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162843257

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Poon AWC, Hofstaetter L, Judd-Lam S: Social connectedness of carers: An Australian national survey of carers. Health Soc Care Community. 2022 Sep 4. doi: 10.1111/hsc.13987. [PubMed:36057864 ]
Johnson-Laghi KA, Woo SM, Zafar Z, Fernandez S, Desale S, Robertazzi SE, Smith CI, Thomas AM, Lalos AT, Georgia SJ, Jenkins ML, Faust TW, Fishbein TM, Satoskar RS, Rangnekar AS, Hsu CC: Alcohol-associated liver disease predicts increased post-liver transplant opioid use. Clin Transplant. 2022 Sep 4:e14811. doi: 10.1111/ctr.14811. [PubMed:36057863 ]
Michael GC, Grema BA, Ashimi AO, Olawumi AL, Umar ZA, Mahmoud Z, Aji SA: Predictors of Satisfaction with Wound Care Services in an Outpatient Setting in Kano, Nigeria. West Afr J Med. 2022 Aug 31;39(8):800-807. [PubMed:36057862 ]
Jouglar E, Laprie A, Isfan F, Dumont B, Thebaud E, Escande A, Supiot S: Locoregional failure after postoperative flank irradiation for nephroblastoma: Results from the French cohort of the SIOP-2001 trial. Pediatr Blood Cancer. 2022 Sep 4:e29950. doi: 10.1002/pbc.29950. [PubMed:36057861 ]
Ruiu L, Marche MG, Mura ME, Tarasco E: Involvement of a novel Pseudomonas protegens strain associated with entomopathogenic nematode infective juveniles in insect pathogenesis. Pest Manag Sci. 2022 Sep 4. doi: 10.1002/ps.7166. [PubMed:36057860 ]
LOTUS database [Link]

Showing NP-Card for {3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate (NP0185567)

MOL for NP0185567 ({3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate)

3D MOL for NP0185567 ({3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate)

3D SDF for NP0185567 ({3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate)

3D-SDF for NP0185567 ({3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate)

PDB for NP0185567 ({3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate)

3D PDB for NP0185567 ({3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate)

SMILES for NP0185567 ({3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate)

INCHI for NP0185567 ({3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate)

Structure for NP0185567 ({3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate)

3D Structure for NP0185567 ({3,4,5-trihydroxy-6-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate)