NP-MRD: Showing NP-Card for (2s,3s,6r)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol (NP0236998)

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Record Information

Version

2.0

Created at

2022-09-06 20:01:55 UTC

Updated at

2022-09-06 20:01:55 UTC

NP-MRD ID

NP0236998

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3s,6r)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol

Description

Canavalin belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. (2s,3s,6r)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol is found in Cassia leptophylla. (2s,3s,6r)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol was first documented in 2019 (PMID: 31890966). Based on a literature review a small amount of articles have been published on Canavalin (PMID: 35853426) (PMID: 35430072) (PMID: 35171037) (PMID: 31983433).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 58 58  0  0  0  0  0  0  0  0999 V2000
   -7.9179    1.0181    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4582    1.1186   -0.4191 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1845    2.4659   -0.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3611    0.3622   -1.7115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9590    0.3826   -2.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9919   -0.2557   -1.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5929   -0.2483   -1.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6633   -0.9077   -0.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6398   -0.2041    0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7181   -0.8786    1.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040   -0.8563    0.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6582   -1.4885    1.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0507   -1.5673    1.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8089   -0.3423    1.0085 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3376    0.5216   -0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4430    1.0847   -0.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7689    1.2269   -0.3370 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7488    0.6859   -1.2083 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9327    0.5128    0.9591 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3783    0.3071    1.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2144   -0.7430    0.8516 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2870    0.0196   -0.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9612    1.1250    1.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4984    1.8244   -0.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8705    0.6573    0.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1280    2.9288    0.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0920    0.7775   -2.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6322   -0.6911   -1.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9035   -0.2046   -3.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6066    1.4111   -2.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3069   -1.2736   -1.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0154    0.4451   -0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2602    0.8057   -1.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5113   -0.8055   -2.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0805   -1.9368   -0.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6535   -1.0510   -1.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6552   -0.0514    0.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359    0.8226    0.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9954   -1.9540    1.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7080   -0.3961    2.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9438    0.2209    0.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7853   -1.3714   -0.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6989   -0.8304    2.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2852   -2.4815    2.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0180   -2.2657    0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6189   -2.2103    2.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8531    0.2720    1.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6182   -0.0169   -0.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287    1.4151    0.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5111    0.4167   -1.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1289    2.0779   -1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0277    2.3146   -0.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6148   -0.3072   -1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4379    1.1436    1.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3717   -0.2146    2.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8550   -0.3001    0.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8269    1.3018    1.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4190   -1.3894    1.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  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  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 14  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  1
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  0
  6 32  1  0
  7 33  1  0
  7 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 12 44  1  0
 13 45  1  0
 13 46  1  0
 14 47  1  1
 15 48  1  0
 15 49  1  0
 16 50  1  0
 16 51  1  0
 17 52  1  1
 18 53  1  0
 19 54  1  1
 20 55  1  0
 20 56  1  0
 20 57  1  0
 21 58  1  0
M  END


  Mrv1652309062222012D          

 21 21  0  0  1  0            999 V2000
    3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8605   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -8.6625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2894   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.0750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8605   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -8.6625    0.0000 N   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
  2  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  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0236998

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(O)CCCCCCCCCC[C@@H]1CC[C@H](O)[C@H](C)N1

> <INCHI_IDENTIFIER>
InChI=1S/C18H37NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h15-21H,3-14H2,1-2H3/t15?,16-,17+,18-/m0/s1

> <INCHI_KEY>
LWYXLXAMDLNBFQ-FBVQUNGASA-N

> <FORMULA>
C18H37NO2

> <MOLECULAR_WEIGHT>
299.499

> <EXACT_MASS>
299.282429435

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
38.7818962189163

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3S,6R)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol

> <JCHEM_LOGP>
3.9192708903333315

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
17.683061087845683

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.610301502428253

> <JCHEM_PKA_STRONGEST_BASIC>
10.066995563235922

> <JCHEM_POLAR_SURFACE_AREA>
52.49

> <JCHEM_REFRACTIVITY>
89.31500000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,6R)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       6.668 -14.630   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       8.002 -12.320   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       9.336 -14.630   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.003 -14.630   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.337 -13.860   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.670 -14.630   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      16.004 -13.860   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      17.338 -14.630   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      18.672 -13.860   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      20.005 -14.630   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      21.339 -13.860   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      22.673 -14.630   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      24.006 -13.860   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      25.340 -14.630   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      25.340 -16.170   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      26.674 -16.940   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      24.006 -16.940   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      24.006 -18.480   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      22.673 -16.170   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   21                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   14                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   42    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₃₇NO₂

Average Mass

299.4990 Da

Monoisotopic Mass

299.28243 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(O)CCCCCCCCCC[C@@H]1CC[C@H](O)[C@H](C)N1

InChI Identifier

InChI=1S/C18H37NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h15-21H,3-14H2,1-2H3/t15?,16-,17+,18-/m0/s1

InChI Key

LWYXLXAMDLNBFQ-FBVQUNGASA-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
Cassia leptophylla	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Not Available

Sub Class

Not Available

Direct Parent

Alkaloids and derivatives

Alternative Parents

Substituents

Alkaloid or derivatives
Piperidine
1,2-aminoalcohol
Secondary alcohol
Secondary aliphatic amine
Secondary amine
Organoheterocyclic compound
Azacycle
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Hydrocarbon derivative
Alcohol
Amine
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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

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

8622903

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Canavalin

METLIN ID

Not Available

PubChem Compound

10447484

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

da Silva DL, Cabrera MP, Cavalcanti IT, Coelho GR, Beraldo-Neto E, Padilha RJR, da Silva CES, Correia MTDS, Pimenta DC, Junior LBC: Magnetite-levan nanoparticles for lectin purification: A single-step strategy for protein isolation from the seeds extract of the plant Cratylia mollis. J Chromatogr A. 2022 Aug 16;1677:463292. doi: 10.1016/j.chroma.2022.463292. Epub 2022 Jul 1. [PubMed:35853426 ]
Oliveira OA, Ferreira SR, Ribeiro EDS, Ferreira ATS, Perales J, Fernandes KVS, Oliveira AEA: Deleterious effects of Schinus terebinthifolius Raddi seed flour on cowpea weevil, Callosobruchus maculatus (F.), larval development. Pestic Biochem Physiol. 2022 May;183:105082. doi: 10.1016/j.pestbp.2022.105082. Epub 2022 Mar 17. [PubMed:35430072 ]
Kwon J, Ko E, Cho SY, Lee YH, Jun S, Lee K, Hwang E, Vaidya B, Hwang JH, Hwang JH, Kim N, Song MK, Kim HY, Ito D, Lin Y, Jo E, Yang KE, Chung HC, Cha S, Kim DI, Yi YS, Yun SH, Park SC, Lee S, Choi JS, Kim DS, Kim D: Bean Extract-Based Gargle for Efficient Diagnosis of Active COVID-19 Infection Using Rapid Antigen Tests. Microbiol Spectr. 2022 Feb 23;10(1):e0161421. doi: 10.1128/spectrum.01614-21. Epub 2022 Feb 16. [PubMed:35171037 ]
McPherson A: Binding of benzoic acid and anions within the cupin domains of the vicilin protein canavalin from jack bean (Canavalia ensiformis): Crystal structures. Biochem Biophys Res Commun. 2020 Mar 26;524(1):268-271. doi: 10.1016/j.bbrc.2020.01.101. Epub 2020 Jan 23. [PubMed:31983433 ]
Nishizawa K, Arii Y: Structural transitions of sword bean canavalin in response to different salt concentrations. Heliyon. 2019 Dec 18;5(12):e03037. doi: 10.1016/j.heliyon.2019.e03037. eCollection 2019 Dec. [PubMed:31890966 ]
LOTUS database [Link]

Showing NP-Card for (2s,3s,6r)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol (NP0236998)

MOL for NP0236998 ((2s,3s,6r)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol)

3D MOL for NP0236998 ((2s,3s,6r)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol)

3D SDF for NP0236998 ((2s,3s,6r)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol)

3D-SDF for NP0236998 ((2s,3s,6r)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol)

PDB for NP0236998 ((2s,3s,6r)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol)

3D PDB for NP0236998 ((2s,3s,6r)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol)

SMILES for NP0236998 ((2s,3s,6r)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol)

INCHI for NP0236998 ((2s,3s,6r)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol)

Structure for NP0236998 ((2s,3s,6r)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol)

3D Structure for NP0236998 ((2s,3s,6r)-6-(11-hydroxydodecyl)-2-methylpiperidin-3-ol)