NP-MRD: Showing NP-Card for (2e)-n-[4-(5-hydroxy-3-methyl-2-oxo-5h-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid (NP0154413)

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Record Information

Version

2.0

Created at

2022-09-02 11:13:04 UTC

Updated at

2022-09-02 11:13:04 UTC

NP-MRD ID

NP0154413

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e)-n-[4-(5-hydroxy-3-methyl-2-oxo-5h-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid

Description

Gigantamide A belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. (2e)-n-[4-(5-hydroxy-3-methyl-2-oxo-5h-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid is found in Aglaia perviridis. (2e)-n-[4-(5-hydroxy-3-methyl-2-oxo-5h-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid was first documented in 2007 (PMID: 17880174). Based on a literature review very few articles have been published on gigantamide A (PMID: 24454565).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 46  0  0  0  0  0  0  0  0999 V2000
    6.1709    2.8192   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4693    1.5019   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5604    0.7188   -1.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7309   -0.5034   -1.0745 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8912   -0.6585   -2.1549 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0748   -0.3898    0.2028 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1850   -1.2894    0.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7338   -1.0434    0.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1501   -1.0568   -0.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3742   -0.8329   -0.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -1.8074    0.1850 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1584   -2.0980    0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2382   -3.2989    1.3507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4122   -1.3963    0.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6008   -0.2763   -0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8626    0.4184   -0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9241    1.6024   -1.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1104    2.2779   -1.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2901    1.7829   -0.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2513    0.6227   -0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0321   -0.0452    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5566    0.8637    0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2128    1.3110    1.8705 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0113    3.4556   -0.9042 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6886    3.3402    0.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2309    2.6065    0.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1507    0.9051   -2.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3790   -1.4169   -1.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3247   -1.1630   -2.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4806   -2.3272    0.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5124   -1.2962    1.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1824   -1.7987    1.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -0.0090    1.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3364   -1.9256   -1.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5161   -0.1397   -1.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4617    0.1602   -0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7264   -0.6616   -1.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8523   -4.1576    1.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3502   -1.8018    0.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172    0.1804   -0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0369    2.0310   -1.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1496    3.1960   -1.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2272    2.3093   -0.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1698    0.2413    0.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1027   -0.9510    0.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
  6 22  1  0
 22 23  2  0
 22  2  1  0
 21 16  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 27  1  0
  4 28  1  1
  5 29  1  0
  7 30  1  0
  7 31  1  0
  8 32  1  0
  8 33  1  0
  9 34  1  0
  9 35  1  0
 10 36  1  0
 10 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 17 41  1  0
 18 42  1  0
 19 43  1  0
 20 44  1  0
 21 45  1  0
M  END


  Mrv1652309022213132D          

 23 24  0  0  0  0            999 V2000
   -2.6577   -6.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3221   -5.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7346   -5.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1826   -4.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3541   -3.8075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    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   -4.5375    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
    2.1434   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152   -5.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9021   -6.3225    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
  4  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
 11 10  1  4  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
  6 22  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0154413

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC(O)N(CCCCN=C(O)\C=C\C2=CC=CC=C2)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H22N2O3/c1-14-13-17(22)20(18(14)23)12-6-5-11-19-16(21)10-9-15-7-3-2-4-8-15/h2-4,7-10,13,17,22H,5-6,11-12H2,1H3,(H,19,21)/b10-9+

> <INCHI_KEY>
BJWYJZGECNLLCG-MDZDMXLPSA-N

> <FORMULA>
C18H22N2O3

> <MOLECULAR_WEIGHT>
314.385

> <EXACT_MASS>
314.163042576

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
35.580833840248744

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-N-[4-(5-hydroxy-3-methyl-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid

> <ALOGPS_LOGP>
1.54

> <JCHEM_LOGP>
1.8396910641782032

> <ALOGPS_LOGS>
-3.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.951401236308289

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.802962986011532

> <JCHEM_PKA_STRONGEST_BASIC>
6.9158753616198805

> <JCHEM_POLAR_SURFACE_AREA>
73.13

> <JCHEM_REFRACTIVITY>
91.32240000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.56e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-N-[4-(5-hydroxy-3-methyl-2-oxo-5H-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.961 -12.499   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.335 -11.092   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.105  -9.758   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.074  -8.614   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -4.394  -7.107   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0      -2.667  -9.240   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -1.334  -8.470   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -8.470   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       4.001  -8.470   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       5.335 -10.780   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.668  -8.470   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.002  -6.160   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.336  -3.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.669  -6.160   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.828 -10.772   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -1.684 -11.802   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   22                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   22                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   16                                                       
CONECT   22    6    2   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₂N₂O₃

Average Mass

314.3850 Da

Monoisotopic Mass

314.16304 Da

IUPAC Name

(2E)-N-[4-(5-hydroxy-3-methyl-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid

Traditional Name

(2E)-N-[4-(5-hydroxy-3-methyl-2-oxo-5H-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid

CAS Registry Number

Not Available

SMILES

CC1=CC(O)N(CCCCN=C(O)\C=C\C2=CC=CC=C2)C1=O

InChI Identifier

InChI=1S/C18H22N2O3/c1-14-13-17(22)20(18(14)23)12-6-5-11-19-16(21)10-9-15-7-3-2-4-8-15/h2-4,7-10,13,17,22H,5-6,11-12H2,1H3,(H,19,21)/b10-9+

InChI Key

BJWYJZGECNLLCG-MDZDMXLPSA-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
Aglaia perviridis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Cinnamic acid amides

Direct Parent

Cinnamic acid amides

Alternative Parents

Substituents

Cinnamic acid amide
Styrene
Monocyclic benzene moiety
Benzenoid
Pyrroline
Tertiary carboxylic acid amide
Carboxamide group
Lactam
Secondary carboxylic acid amide
Alkanolamine
Carboxylic acid derivative
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organic nitrogen compound
Carbonyl group
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	1.54	ALOGPS
logP	1.84	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	4.8	ChemAxon
pKa (Strongest Basic)	6.92	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	73.13 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	91.32 m³·mol⁻¹	ChemAxon
Polarizability	35.58 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

C00039272

Chemspider ID

23310893

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

23655945

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Ilangovan A, Saravanakumar S: Total synthesis of (+)-grandiamide D, dasyclamide and gigantamide A from a Baylis-Hillman adduct: A unified biomimetic approach. Beilstein J Org Chem. 2014 Jan 10;10:127-33. doi: 10.3762/bjoc.10.9. eCollection 2014 Jan 10. [PubMed:24454565 ]
Duong TN, Edrada R, Ebel R, Wray V, Frank W, Duong AT, Lin WH, Proksch P: Putrescine bisamides from Aglaia gigantea. J Nat Prod. 2007 Oct;70(10):1640-3. doi: 10.1021/np070184w. Epub 2007 Sep 20. [PubMed:17880174 ]
LOTUS database [Link]

Showing NP-Card for (2e)-n-[4-(5-hydroxy-3-methyl-2-oxo-5h-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid (NP0154413)

MOL for NP0154413 ((2e)-n-[4-(5-hydroxy-3-methyl-2-oxo-5h-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid)

3D MOL for NP0154413 ((2e)-n-[4-(5-hydroxy-3-methyl-2-oxo-5h-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid)

3D SDF for NP0154413 ((2e)-n-[4-(5-hydroxy-3-methyl-2-oxo-5h-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid)

3D-SDF for NP0154413 ((2e)-n-[4-(5-hydroxy-3-methyl-2-oxo-5h-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid)

PDB for NP0154413 ((2e)-n-[4-(5-hydroxy-3-methyl-2-oxo-5h-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid)

3D PDB for NP0154413 ((2e)-n-[4-(5-hydroxy-3-methyl-2-oxo-5h-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid)

SMILES for NP0154413 ((2e)-n-[4-(5-hydroxy-3-methyl-2-oxo-5h-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid)

INCHI for NP0154413 ((2e)-n-[4-(5-hydroxy-3-methyl-2-oxo-5h-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid)

Structure for NP0154413 ((2e)-n-[4-(5-hydroxy-3-methyl-2-oxo-5h-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid)

3D Structure for NP0154413 ((2e)-n-[4-(5-hydroxy-3-methyl-2-oxo-5h-pyrrol-1-yl)butyl]-3-phenylprop-2-enimidic acid)