NP-MRD: Showing NP-Card for Cassine (NP0051121)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-04-27 22:32:42 UTC

Updated at

2022-04-27 22:32:42 UTC

NP-MRD ID

NP0051121

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Cassine

Description

Cassine 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. Cassine is found in Cassia carnaval, Cassia excelsa, Cassine metabelica, Erythrophleum guineense E.Don. , Prosopis ruscifolia and Senna spectabilis. Cassine was first documented in 2020 (PMID: 33183278). Based on a literature review a small amount of articles have been published on Cassine (PMID: 34806504) (PMID: 34276369) (PMID: 33510807).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 56 56  0  0  0  0  0  0  0  0999 V2000
   -5.5105   -1.0621    1.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3642    0.3689    2.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5632    0.6258    3.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1115    1.4613    1.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0893    1.4870    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7997    1.6324   -0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7748    0.5768   -0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047    0.8590   -1.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4805   -0.2280   -1.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0644   -0.3320    0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0429   -1.4168    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -1.2760   -0.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0189   -0.0507    0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2933   -0.0719   -0.7352 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0528    1.1921   -0.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0083    1.2233    0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8207   -0.0571    0.7271 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4346   -0.6883    1.9036 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4939   -0.8762   -0.5040 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3882   -2.0931   -0.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1045   -1.2187   -0.4281 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5550   -1.4807    1.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8518   -1.5890    2.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2932   -1.1848    0.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8769    2.4515    1.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1955    1.2980    1.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5768    0.5486   -0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7627    2.3278   -0.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3592    2.6674   -0.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0301    1.6295   -1.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4637    0.6116    0.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0982   -0.4277   -0.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7619    0.9415   -2.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1274    1.8534   -0.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0012   -1.1857   -1.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6022   -0.0342   -1.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8211    0.6271    0.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9764   -0.7068    0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1337   -1.4595    1.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5356   -2.3791    0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0139   -1.3100   -1.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8522   -2.1601    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    0.0812    1.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4587    0.8520   -0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0280   -0.1571   -1.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3509    2.0590   -0.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6348    1.4826   -1.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7340    2.0545    0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4704    1.4614    1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9099    0.1712    0.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1574    0.0229    2.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6903   -0.2421   -1.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2882   -1.8103   -1.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8320   -2.8333   -1.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5977   -2.5439    0.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8622   -1.6923    0.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 19  1  0
 19 21  1  0
 21 14  1  0
 14 13  1  0
 13 12  1  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  5  1  0
  5  4  1  0
  4  2  1  0
  2  1  1  0
  2  3  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 20 53  1  0
 20 54  1  0
 20 55  1  0
 19 52  1  6
 21 56  1  0
 14 45  1  6
 13 43  1  0
 13 44  1  0
 12 41  1  0
 12 42  1  0
 11 39  1  0
 11 40  1  0
 10 37  1  0
 10 38  1  0
  9 35  1  0
  9 36  1  0
  8 33  1  0
  8 34  1  0
  7 31  1  0
  7 32  1  0
  6 29  1  0
  6 30  1  0
  5 27  1  0
  5 28  1  0
  4 25  1  0
  4 26  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
 15 46  1  0
 15 47  1  0
 16 48  1  0
 16 49  1  0
 17 50  1  1
 18 51  1  0
M  END


  Mrv1652304282200322D          

 21 21  0  0  1  0            999 V2000
   -1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  2  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    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    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    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  1  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
 13 14  1  0  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  2  0  0  0  0
 17 19  1  0  0  0  0
  2 20  1  1  0  0  0
  1 21  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0051121

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1N[C@@H](CCCCCCCCCCC(C)=O)CC[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1

> <INCHI_KEY>
QPRMGHKASRLPJP-FGTMMUONSA-N

> <FORMULA>
C18H35NO2

> <MOLECULAR_WEIGHT>
297.483

> <EXACT_MASS>
297.266779371

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
37.90501959645605

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
12-[(2S,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one

> <ALOGPS_LOGP>
4.17

> <JCHEM_LOGP>
3.948758239999999

> <ALOGPS_LOGS>
-4.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
19.643451784493113

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.61029747874662

> <JCHEM_PKA_STRONGEST_BASIC>
10.066995563119873

> <JCHEM_POLAR_SURFACE_AREA>
49.33

> <JCHEM_REFRACTIVITY>
88.18399999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.32e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cassine

> <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      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667   3.080   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -1.334   3.850   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       0.000   3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334   0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667   3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335   3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002   3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.669   3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.337   3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.670   3.850   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      16.004   3.080   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      14.670   5.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -4.001   0.770   0.000  0.00  0.00           O+0
CONECT    1    2    6   21                                                  
CONECT    2    1    3   20                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    4    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                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20    2                                                            
CONECT   21    1                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   42    0
END

View in JSmol

Synonyms

Value	Source
12-(5-Hydroxy-6-methylpiperidin-2-yl)dodecan-2-one	MeSH

Chemical Formula

C₁₈H₃₅NO₂

Average Mass

297.4830 Da

Monoisotopic Mass

297.26678 Da

IUPAC Name

12-[(2S,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one

Traditional Name

cassine

CAS Registry Number

Not Available

SMILES

C[C@H]1N[C@@H](CCCCCCCCCCC(C)=O)CC[C@H]1O

InChI Identifier

InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1

InChI Key

QPRMGHKASRLPJP-FGTMMUONSA-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
Cassia carnaval	Plant	KNApSAcK
Cassia excelsa	Plant	KNApSAcK
Cassine metabelica	Plant	KNApSAcK
Erythrophleum guineense E.Don.	Plant	KNApSAcK
Prosopis ruscifolia	Plant	KNApSAcK
Senna spectabilis	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
Ketone
Secondary alcohol
Secondary aliphatic amine
Secondary amine
Organoheterocyclic compound
Azacycle
Organic oxide
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Alcohol
Hydrocarbon derivative
Amine
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

citraconoyl group (CHEBI:3456 )
Piperidine alkaloids (C10136 )

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	4.17	ALOGPS
logP	3.95	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	14.61	ChemAxon
pKa (Strongest Basic)	10.07	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	49.33 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	88.18 m³·mol⁻¹	ChemAxon
Polarizability	37.91 Å³	ChemAxon
Number of Rings	1	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

C00002027

Chemspider ID

167832

KEGG Compound ID

C10136

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Cassine

METLIN ID

Not Available

PubChem Compound

193405

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Franca MGA, Pessoa CO, Trevisan MTS, Paiva CF, Lima DR, Sousa AF, Oliveira FCE, Cavalheiro AJ, Silva MGV: Chemical composition, in vitro cytotoxic and anticholinesterase activities of flower extracts of Senna spectabilis var. excelsa and Senna macranthera. Nat Prod Res. 2021 Nov 21:1-5. doi: 10.1080/14786419.2021.2005052. [PubMed:34806504 ]
Ambadiang MMM, Atontsa BCK, Tankeo SB, Nayim P, Wamba BEN, Bitchagno GTM, Mpetga JDS, Penlap VB, Kuete V: Bark extract of Cassia sieberiana DC. (Caesalpiniaceae) displayed good antibacterial activity against MDR gram-negative phenotypes in the presence of phenylalanine-arginine beta-naphthylamide. BMC Complement Med Ther. 2020 Nov 12;20(1):342. doi: 10.1186/s12906-020-03148-3. [PubMed:33183278 ]
Schultz F, Osuji OF, Nguyen A, Anywar G, Scheel JR, Caljon G, Pieters L, Garbe LA: Pharmacological Assessment of the Antiprotozoal Activity, Cytotoxicity and Genotoxicity of Medicinal Plants Used in the Treatment of Malaria in the Greater Mpigi Region in Uganda. Front Pharmacol. 2021 Jun 30;12:678535. doi: 10.3389/fphar.2021.678535. eCollection 2021. [PubMed:34276369 ]
Schultz F, Anywar G, Quave CL, Garbe LA: A Bibliographic Assessment Using the Degrees of Publication Method: Medicinal Plants from the Rural Greater Mpigi Region (Uganda). Evid Based Complement Alternat Med. 2021 Jan 15;2021:6661565. doi: 10.1155/2021/6661565. eCollection 2021. [PubMed:33510807 ]

Showing NP-Card for Cassine (NP0051121)

MOL for NP0051121 (Cassine)

3D MOL for NP0051121 (Cassine)

3D SDF for NP0051121 (Cassine)

3D-SDF for NP0051121 (Cassine)

PDB for NP0051121 (Cassine)

3D PDB for NP0051121 (Cassine)

SMILES for NP0051121 (Cassine)

INCHI for NP0051121 (Cassine)

Structure for NP0051121 (Cassine)

3D Structure for NP0051121 (Cassine)