NP-MRD: Showing NP-Card for N-trans-Caffeoyldopamine (NP0084542)

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Record Information

Version

2.0

Created at

2022-04-29 05:15:13 UTC

Updated at

2022-04-29 05:15:13 UTC

NP-MRD ID

NP0084542

Secondary Accession Numbers

None

Natural Product Identification

Common Name

N-trans-Caffeoyldopamine

Description

(2E)-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enimidic acid 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)-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enimidic acid is a very strong basic compound (based on its pKa). N-trans-Caffeoyldopamine is found in Capsicum annuum , Lycium chinense and Theobroma cacao . It is generated by cyp2b6, cyp2c9, cyp2d6, and cyp3a4 enzymes via an o-hydroxylation-of-phenols reaction.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 41  0  0  0  0  0  0  0  0999 V2000
    0.0145   -0.8809   -2.8588 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0409   -0.1328   -1.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2568   -0.1192   -0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3289   -0.8052   -1.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5213   -0.7915   -0.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6278   -1.5385   -0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.5619   -0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9210   -0.8399    0.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0932   -0.8502    1.7272 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8474   -0.1057    1.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    0.6532    2.5688 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508   -0.0871    0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760    0.5367   -1.3429 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9485    1.3241   -0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2096    2.1058    0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3940    1.2239    0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8115    0.7704    1.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8981   -0.0514    1.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6018   -0.4364    0.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7017   -1.2636    0.4862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2198   -0.0071   -0.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9513   -0.4176   -2.0060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1086    0.8253   -1.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0114   -1.9023   -2.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2225    0.4946    0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2171   -1.3697   -2.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5260   -2.0983   -1.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -2.1376   -0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1409   -0.3139    2.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5804    0.7759    3.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8272    0.5234    1.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7856    0.7085    0.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1108    2.0489   -0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1479    2.8090    0.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3090    2.7540   -0.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2544    1.0790    2.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2200   -0.4029    2.4723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9969   -1.5879    1.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6561   -0.0927   -2.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8095    1.1614   -1.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0
  4  5  1  0
  5 12  2  0
 12 10  1  0
 10 11  1  0
 10  8  2  0
  8  9  1  0
  8  7  1  0
  7  6  2  0
  3  2  1  0
  2  1  1  0
  2 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 23  2  0
 23 21  1  0
 21 22  1  0
 21 19  2  0
 19 20  1  0
 19 18  1  0
 18 17  2  0
  6  5  1  0
 17 16  1  0
  3 25  1  0
  4 26  1  0
 12 31  1  0
 11 30  1  0
  9 29  1  0
  7 28  1  0
  6 27  1  0
  1 24  1  0
 14 32  1  0
 14 33  1  0
 15 34  1  0
 15 35  1  0
 23 40  1  0
 22 39  1  0
 20 38  1  0
 18 37  1  0
 17 36  1  0
M  END


  Mrv1652308231917462D          

 25 26  0  0  0  0            999 V2000
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    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
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    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   -1.2375    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   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    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    0.8250    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 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    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
    0.0000   -6.6000    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
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  8  7  1  0  0  0  0
 11  1  1  0  0  0  0
 11  3  1  0  0  0  0
 11  9  2  0  0  0  0
 12  2  1  0  0  0  0
 12  7  1  0  0  0  0
 12 10  2  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 15 13  2  0  0  0  0
 16 10  1  0  0  0  0
 16 14  2  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  4  0  0  0
 18 17  2  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24  3  1  0  0  0  0
 25  6  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0084542

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(O)=NCCC1=CC(O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H17NO5/c19-13-4-1-11(9-15(13)21)3-6-17(23)18-8-7-12-2-5-14(20)16(22)10-12/h1-6,9-10,19-22H,7-8H2,(H,18,23)/b6-3+

> <INCHI_KEY>
FSMGGLPUXCKRGT-ZZXKWVIFSA-N

> <FORMULA>
C17H17NO5

> <MOLECULAR_WEIGHT>
315.325

> <EXACT_MASS>
315.110672651

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
33.48520022894193

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enimidic acid

> <ALOGPS_LOGP>
1.86

> <JCHEM_LOGP>
2.651261166208489

> <ALOGPS_LOGS>
-3.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.98213832195229

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.1840697359019785

> <JCHEM_PKA_STRONGEST_BASIC>
6.142002712081203

> <JCHEM_POLAR_SURFACE_AREA>
113.51000000000002

> <JCHEM_REFRACTIVITY>
87.5917

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.59e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-AUG-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-AUG-19         0                                  
HETATM    1  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.001 -11.550   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   1.540   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  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       0.000  -4.620   0.000  0.00  0.00           N+0
HETATM   19  O   UNK     0      -2.667 -13.860   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       0.000 -12.320   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   24  H   UNK     0      -4.001  -6.930   0.000  0.00  0.00           H+0
HETATM   25  H   UNK     0       0.000  -7.700   0.000  0.00  0.00           H+0
CONECT    1    4   11                                                       
CONECT    2    5   12                                                       
CONECT    3    6   11   24                                                  
CONECT    4    1   13                                                       
CONECT    5    2   14                                                       
CONECT    6    3   17   25                                                  
CONECT    7    8   12                                                       
CONECT    8    7   18                                                       
CONECT    9   11   15                                                       
CONECT   10   12   16                                                       
CONECT   11    1    3    9                                                  
CONECT   12    2    7   10                                                  
CONECT   13    4   15   19                                                  
CONECT   14    5   16   20                                                  
CONECT   15    9   13   21                                                  
CONECT   16   10   14   22                                                  
CONECT   17    6   18   23                                                  
CONECT   18    8   17                                                       
CONECT   19   13                                                            
CONECT   20   14                                                            
CONECT   21   15                                                            
CONECT   22   16                                                            
CONECT   23   17                                                            
CONECT   24    3                                                            
CONECT   25    6                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END

View in JSmol

Synonyms

Value	Source
(2E)-3-(3,4-Dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enimidate	Generator

Chemical Formula

C₁₇H₁₇NO₅

Average Mass

315.3250 Da

Monoisotopic Mass

315.11067 Da

IUPAC Name

(2E)-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enimidic acid

Traditional Name

(2E)-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enimidic acid

CAS Registry Number

Not Available

SMILES

[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(O)=NCCC1=CC(O)=C(O)C=C1

InChI Identifier

InChI=1S/C17H17NO5/c19-13-4-1-11(9-15(13)21)3-6-17(23)18-8-7-12-2-5-14(20)16(22)10-12/h1-6,9-10,19-22H,7-8H2,(H,18,23)/b6-3+

InChI Key

FSMGGLPUXCKRGT-ZZXKWVIFSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Capsicum annuum	Plant	KNApSAcK
Lycium chinense	Plant	KNApSAcK
Theobroma cacao	Plant	KNApSAcK

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
N-acyldopamine
Catechol
Styrene
1-hydroxy-2-unsubstituted benzenoid
Phenol
1-hydroxy-4-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Secondary carboxylic acid amide
Carboxamide group
Carboxylic acid derivative
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Carbonyl group
Organic oxide
Organic oxygen compound
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	1.86	ALOGPS
logP	2.65	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	4.18	ChemAxon
pKa (Strongest Basic)	6.14	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	113.51 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	87.59 m³·mol⁻¹	ChemAxon
Polarizability	33.49 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

HMDB0137014

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

8347409

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10171904

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for N-trans-Caffeoyldopamine (NP0084542)

MOL for NP0084542 (N-trans-Caffeoyldopamine)

3D MOL for NP0084542 (N-trans-Caffeoyldopamine)

3D SDF for NP0084542 (N-trans-Caffeoyldopamine)

3D-SDF for NP0084542 (N-trans-Caffeoyldopamine)

PDB for NP0084542 (N-trans-Caffeoyldopamine)

3D PDB for NP0084542 (N-trans-Caffeoyldopamine)

SMILES for NP0084542 (N-trans-Caffeoyldopamine)

INCHI for NP0084542 (N-trans-Caffeoyldopamine)

Structure for NP0084542 (N-trans-Caffeoyldopamine)

3D Structure for NP0084542 (N-trans-Caffeoyldopamine)