NP-MRD: Showing NP-Card for (2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid (NP0296938)

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Record Information

Version

2.0

Created at

2022-09-10 06:50:32 UTC

Updated at

2022-09-10 06:50:32 UTC

NP-MRD ID

NP0296938

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid

Description

Trans-N-Feruloyloctopamine belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. Hydroxycinnamic acids and derivatives are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. (2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid is found in Lycium chinense and Solanum myriacanthum. (2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid was first documented in 2004 (PMID: 15266117). Based on a literature review a small amount of articles have been published on Trans-N-Feruloyloctopamine (PMID: 16989538) (PMID: 31909232).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
   -7.7594    0.8021    0.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6400    0.0025    1.1927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3949    0.2702    0.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1970    1.3165   -0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9781    1.6165   -0.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8821    0.8192   -0.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6088    1.1444   -1.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5195    0.4569   -0.8116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7684    0.8097   -1.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8004    1.8999   -2.2822 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7925    0.0905   -1.1534 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7254   -1.0464   -0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0058   -1.8387   -0.3206 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1515   -2.2699   -1.6464 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757   -1.0840    0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1156    0.0981    0.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2665    0.7584    1.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5153    0.2511    0.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6858    0.8893    1.3737 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5723   -0.9366    0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4289   -1.5923   -0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0712   -0.2429    0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3196   -0.5174    0.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4605   -1.6025    1.8428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6829    0.3335    1.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6398    1.8471    1.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8281    0.8467   -0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0709    1.9274   -0.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8209    2.4391   -1.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5260    1.9846   -1.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5293   -0.3967   -0.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6108    1.6964   -3.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3986   -0.7975    0.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9271   -1.7195   -0.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8891   -2.7287    0.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6438   -1.6901   -2.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1507    0.5133    1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2029    1.6905    1.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5898    0.5346    1.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5455   -1.3366    0.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5630   -2.5274   -0.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2459   -0.8879    0.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3507   -1.8234    2.2538 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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
  6 22  1  0
 22 23  2  0
 23 24  1  0
 23  3  1  0
 21 15  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  4 28  1  0
  5 29  1  0
  7 30  1  0
  8 31  1  0
 10 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  1
 14 36  1  0
 16 37  1  0
 17 38  1  0
 19 39  1  0
 20 40  1  0
 21 41  1  0
 22 42  1  0
 24 43  1  0
M  END


  Mrv1652309102208502D          

 24 25  0  0  0  0            999 V2000
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   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
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -13.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    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 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  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  4  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 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
 20 21  2  0  0  0  0
 15 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  2  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0296938

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(\C=C\C(O)=NCC(O)C2=CC=C(O)C=C2)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C18H19NO5/c1-24-17-8-2-12(10-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b9-3+

> <INCHI_KEY>
YMUNILWOTSCYLI-YCRREMRBSA-N

> <FORMULA>
C18H19NO5

> <MOLECULAR_WEIGHT>
329.352

> <EXACT_MASS>
329.126322716

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
34.59706633431989

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid

> <JCHEM_LOGP>
2.7017601053333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.321122168412682

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.903436402949291

> <JCHEM_PKA_STRONGEST_BASIC>
3.7655523760385115

> <JCHEM_POLAR_SURFACE_AREA>
102.51

> <JCHEM_REFRACTIVITY>
91.30060000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.000  -7.700   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000 -12.320   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000 -13.860   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334 -14.630   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334 -16.170   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -0.000 -16.940   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0      -2.667 -16.940   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -2.667 -18.480   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334 -19.250   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -0.000 -18.480   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -1.334 -20.790   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.000 -21.560   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.000 -23.100   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334 -23.870   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.334 -25.410   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -2.667 -23.100   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.667 -21.560   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -2.667  -9.240   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   23                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   22                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   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    6   23                                                       
CONECT   23   22    3   24                                                  
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₁₉NO₅

Average Mass

329.3520 Da

Monoisotopic Mass

329.12632 Da

IUPAC Name

(2E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid

Traditional Name

(2E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid

CAS Registry Number

Not Available

SMILES

COC1=CC=C(\C=C\C(O)=NCC(O)C2=CC=C(O)C=C2)C=C1O

InChI Identifier

InChI=1S/C18H19NO5/c1-24-17-8-2-12(10-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b9-3+

InChI Key

YMUNILWOTSCYLI-YCRREMRBSA-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
Lycium chinense	LOTUS Database	35616633
Solanum myriacanthum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. Hydroxycinnamic acids and derivatives are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Hydroxycinnamic acids and derivatives

Direct Parent

Hydroxycinnamic acids and derivatives

Alternative Parents

Substituents

Cinnamic acid amide
Hydroxycinnamic acid or derivatives
Methoxyphenol
Anisole
Phenoxy compound
Phenol ether
Styrene
Methoxybenzene
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
Phenol
Benzenoid
Monocyclic benzene moiety
Secondary alcohol
Secondary carboxylic acid amide
Carboxamide group
Carboxylic acid derivative
Ether
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Organic oxide
Organonitrogen compound
Carbonyl group
Organooxygen compound
Alcohol
Aromatic alcohol
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	2.7	ChemAxon
pKa (Strongest Acidic)	5.9	ChemAxon
pKa (Strongest Basic)	3.77	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	102.51 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	91.3 m³·mol⁻¹	ChemAxon
Polarizability	34.6 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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

28510382

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

70681748

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Oueslati MH, Ben Jannet H, Mighri Z, Chriaa J, Abreu PM: Phytochemical constituents from Salsola tetrandra. J Nat Prod. 2006 Sep;69(9):1366-9. doi: 10.1021/np060222w. [PubMed:16989538 ]
Lee DG, Park Y, Kim MR, Jung HJ, Seu YB, Hahm KS, Woo ER: Anti-fungal effects of phenolic amides isolated from the root bark of Lycium chinense. Biotechnol Lett. 2004 Jul;26(14):1125-30. doi: 10.1023/B:BILE.0000035483.85790.f7. [PubMed:15266117 ]
Yalamanchili C, Chittiboyina AG, Haider S, Vasquez Y, Khan S, do Carmo JM, da Silva AA, Pinkerton M, Hall JE, Walker LA, Khan IA: In search for potential antidiabetic compounds from natural sources: docking, synthesis and biological screening of small molecules from Lycium spp. (Goji). Heliyon. 2019 Dec 27;6(1):e02782. doi: 10.1016/j.heliyon.2019.e02782. eCollection 2020 Jan. [PubMed:31909232 ]
LOTUS database [Link]

Showing NP-Card for (2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid (NP0296938)

MOL for NP0296938 ((2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid)

3D MOL for NP0296938 ((2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid)

3D SDF for NP0296938 ((2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid)

3D-SDF for NP0296938 ((2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid)

PDB for NP0296938 ((2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid)

3D PDB for NP0296938 ((2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid)

SMILES for NP0296938 ((2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid)

INCHI for NP0296938 ((2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid)

Structure for NP0296938 ((2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid)

3D Structure for NP0296938 ((2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid)