NP-MRD: Showing NP-Card for (+)-trans-Dehydrocrotonin (NP0075847)

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Record Information

Version

2.0

Created at

2022-04-28 21:04:10 UTC

Updated at

2022-04-28 21:04:10 UTC

NP-MRD ID

NP0075847

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-trans-Dehydrocrotonin

Description

Trans-Dehydrocrotonin belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. (+)-trans-Dehydrocrotonin is found in Croton cajucara, Croton glabellus and Croton schiedeanus. (+)-trans-Dehydrocrotonin was first documented in 2010 (PMID: 20680342). Based on a literature review a small amount of articles have been published on trans-Dehydrocrotonin (PMID: 33980349) (PMID: 26547537) (PMID: 23621007) (PMID: 20433064).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 48  0  0  0  0  0  0  0  0999 V2000
   -4.5570   -0.2680   -0.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1648   -0.7965   -0.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7373   -1.6765   -1.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3791   -2.1913   -1.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9422   -2.9836   -2.6487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4662   -1.7381   -0.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8512   -0.3071   -0.3696 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2443   -0.2900    0.1581 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5988    1.1590    0.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7158    1.5117    1.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2978    1.6020    1.1593 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5829    2.0012    2.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642    0.3502    0.4867 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3641    0.6817   -0.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5891    0.4320    0.4558 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7114   -0.1210   -0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7977   -1.3865   -0.8807 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0065   -1.4771   -1.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6262   -0.3333   -1.4167 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8845    0.5058   -0.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1663   -0.4980    1.4215 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7907   -0.6049    1.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0600   -1.3555    2.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9892   -0.4490    0.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6239    0.7932   -1.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2171   -0.8814   -1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4177   -2.0296   -2.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7047   -2.4138    0.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5643   -1.8536   -1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8643    0.2317   -1.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3818   -0.8785    1.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2249    1.7717   -0.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6623    1.2912    0.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7355    0.7129    2.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9669    2.5064    2.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2925    2.4638    0.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0174    2.4283    3.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2798    2.8380    2.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446    1.1473    2.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3183    1.7199   -0.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100   -0.0121   -1.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8846    1.4057    0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0816   -2.1992   -0.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -2.3188   -2.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1969    1.5098   -0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  4  1  0
  4  5  2  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  7 13  1  0
 13 14  1  6
 14 15  1  0
 15 21  1  0
 21 22  1  0
 22 23  2  0
 15 16  1  0
 16 20  2  0
 20 19  1  0
 19 18  1  0
 18 17  2  0
 13 11  1  0
 13 22  1  0
 17 16  1  0
  2  8  1  0
 12 37  1  0
 12 38  1  0
 12 39  1  0
 11 36  1  6
 10 34  1  0
 10 35  1  0
  9 32  1  0
  9 33  1  0
  8 31  1  1
  7 30  1  6
  6 28  1  0
  6 29  1  0
  3 27  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
 14 40  1  0
 14 41  1  0
 15 42  1  1
 20 45  1  0
 18 44  1  0
 17 43  1  0
M  END


  Mrv1652304282223042D          

 23 26  0  0  1  0            999 V2000
    1.6704    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8575   -0.4311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2728    0.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0857    1.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2964    1.9794    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6940    1.4157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8811    0.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0954    1.6554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2824    2.4590    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3199    3.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1093    2.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    2.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066    0.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7404    0.4868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3042    1.0891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9055    1.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4693    2.4137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964   -0.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3326   -0.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7313   -1.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414   -1.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6434   -0.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6881    2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  1  7  1  0  0  0  0
  6  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
  5 11  1  0  0  0  0
  9 12  1  6  0  0  0
  8 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
 14 18  1  6  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 18 22  1  0  0  0  0
  4 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0075847

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1CC[C@@H]2[C@H](CC(=O)C=C2C)[C@@]11C[C@@H](OC1=O)C1=COC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H22O4/c1-11-7-14(20)8-16-15(11)4-3-12(2)19(16)9-17(23-18(19)21)13-5-6-22-10-13/h5-7,10,12,15-17H,3-4,8-9H2,1-2H3/t12-,15+,16+,17-,19-/m1/s1

> <INCHI_KEY>
PHTWCRQCDPNVLQ-WCARXYILSA-N

> <FORMULA>
C19H22O4

> <MOLECULAR_WEIGHT>
314.381

> <EXACT_MASS>
314.151809188

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
33.37302656755555

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2R,4aR,5'R,8aS)-5'-(furan-3-yl)-2,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-spiro[naphthalene-1,3'-oxolane]-2',7-dione

> <ALOGPS_LOGP>
2.96

> <JCHEM_LOGP>
3.3914534383333326

> <ALOGPS_LOGS>
-3.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.674409153728522

> <JCHEM_PKA_STRONGEST_BASIC>
-2.880701644066363

> <JCHEM_POLAR_SURFACE_AREA>
56.510000000000005

> <JCHEM_REFRACTIVITY>
85.2429

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.95e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,4aR,5'R,8aS)-5'-(furan-3-yl)-2,5-dimethyl-2,3,4,4a,8,8a-hexahydrospiro[naphthalene-1,3'-oxolane]-2',7-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       3.118   0.695   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       3.467  -0.805   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.243   1.747   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.893   3.247   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.420   3.695   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.295   2.643   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.645   1.143   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.178   3.090   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.527   4.590   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.597   5.642   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.071   5.195   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.001   5.038   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.012   1.562   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.382   0.909   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.434   2.033   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -1.690   3.381   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -2.743   4.506   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.673  -0.604   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.621  -1.728   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.365  -3.076   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.877  -2.785   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.068  -1.257   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.018   4.300   0.000  0.00  0.00           C+0
CONECT    1    2    3    7                                                  
CONECT    2    1                                                            
CONECT    3    1    4                                                       
CONECT    4    3    5   23                                                  
CONECT    5    4    6   11                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6    1                                                       
CONECT    8    6    9   13   16                                             
CONECT    9    8   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10    5                                                       
CONECT   12    9                                                            
CONECT   13    8   14                                                       
CONECT   14   13   15   18                                                  
CONECT   15   14   16                                                       
CONECT   16   15    8   17                                                  
CONECT   17   16                                                            
CONECT   18   14   19   22                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   18                                                       
CONECT   23    4                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Value	Source
Dehydrocrotonin	MeSH

Chemical Formula

C₁₉H₂₂O₄

Average Mass

314.3810 Da

Monoisotopic Mass

314.15181 Da

IUPAC Name

(1R,2R,4aR,5'R,8aS)-5'-(furan-3-yl)-2,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-spiro[naphthalene-1,3'-oxolane]-2',7-dione

Traditional Name

(1R,2R,4aR,5'R,8aS)-5'-(furan-3-yl)-2,5-dimethyl-2,3,4,4a,8,8a-hexahydrospiro[naphthalene-1,3'-oxolane]-2',7-dione

CAS Registry Number

Not Available

SMILES

C[C@@H]1CC[C@@H]2[C@H](CC(=O)C=C2C)[C@@]11C[C@@H](OC1=O)C1=COC=C1

InChI Identifier

InChI=1S/C19H22O4/c1-11-7-14(20)8-16-15(11)4-3-12(2)19(16)9-17(23-18(19)21)13-5-6-22-10-13/h5-7,10,12,15-17H,3-4,8-9H2,1-2H3/t12-,15+,16+,17-,19-/m1/s1

InChI Key

PHTWCRQCDPNVLQ-WCARXYILSA-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
Croton cajucara	LOTUS Database	35616633
Croton glabellus	LOTUS Database	35616633
Croton schiedeanus	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Diterpene lactone
Diterpenoid
Clerodane diterpenoid
Cyclohexenone
Gamma butyrolactone
Heteroaromatic compound
Furan
Oxolane
Carboxylic acid ester
Cyclic ketone
Ketone
Lactone
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organooxygen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	2.96	ALOGPS
logP	3.39	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	18.67	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	56.51 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	85.24 m³·mol⁻¹	ChemAxon
Polarizability	33.37 Å³	ChemAxon
Number of Rings	4	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

C00037929

Chemspider ID

8578806

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10403368

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Cardoso EF, Giacomello TF, Rocha de Oliveira LL, da Silva TA, de Jesus Chaves Neto AM, Da Silva Mota GV, Souza Siqueira MR, Paranhos Costa FL: A Combined Molecular Docking and Density Functional Theory Nuclear Magnetic Resonance Study of Trans-Dehydrocrotonin Interacting with COVID-19 Main Protease and Severe Acute Respiratory Syndrome Coronavirus 2 3C-Like Protease. J Nanosci Nanotechnol. 2021 Nov 1;21(11):5399-5407. doi: 10.1166/jnn.2021.19475. [PubMed:33980349 ]
Lima GS, Castro-Pinto DB, Machado GC, Maciel MA, Echevarria A: Antileishmanial activity and trypanothione reductase effects of terpenes from the Amazonian species Croton cajucara Benth (Euphorbiaceae). Phytomedicine. 2015 Nov 15;22(12):1133-7. doi: 10.1016/j.phymed.2015.08.012. Epub 2015 Sep 18. [PubMed:26547537 ]
Lapenda TL, Morais WA, Almeida FJ, Ferraz MS, Lira MC, Santos NP, Maciel MA, Santos-Magalhaes NS: Encapsulation of trans-dehydrocrotonin in liposomes: an enhancement of the antitumor activity. J Biomed Nanotechnol. 2013 Mar;9(3):499-510. doi: 10.1166/jbn.2013.1554. [PubMed:23621007 ]
Campos MC, Salomao K, Castro-Pinto DB, Leon LL, Barbosa HS, Maciel MA, de Castro SL: Croton cajucara crude extract and isolated terpenes: activity on Trypanosoma cruzi. Parasitol Res. 2010 Oct;107(5):1193-204. doi: 10.1007/s00436-010-1988-6. Epub 2010 Aug 3. [PubMed:20680342 ]
Rabelo AF, Guedes MM, Tome Ada R, Lima PR, Maciel MA, Lira SR, Carvalho AC, Santos FA, Rao VS: Vitamin E ameliorates high dose trans-dehydrocrotonin-associated hepatic damage in mice. Nat Prod Commun. 2010 Apr;5(4):523-8. [PubMed:20433064 ]

Showing NP-Card for (+)-trans-Dehydrocrotonin (NP0075847)

MOL for NP0075847 ((+)-trans-Dehydrocrotonin)

3D MOL for NP0075847 ((+)-trans-Dehydrocrotonin)

3D SDF for NP0075847 ((+)-trans-Dehydrocrotonin)

3D-SDF for NP0075847 ((+)-trans-Dehydrocrotonin)

PDB for NP0075847 ((+)-trans-Dehydrocrotonin)

3D PDB for NP0075847 ((+)-trans-Dehydrocrotonin)

SMILES for NP0075847 ((+)-trans-Dehydrocrotonin)

INCHI for NP0075847 ((+)-trans-Dehydrocrotonin)

Structure for NP0075847 ((+)-trans-Dehydrocrotonin)

3D Structure for NP0075847 ((+)-trans-Dehydrocrotonin)