NP-MRD: Showing NP-Card for Caseadine (NP0050957)

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Record Information

Version

2.0

Created at

2022-04-27 22:25:35 UTC

Updated at

2022-04-27 22:25:35 UTC

NP-MRD ID

NP0050957

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Caseadine

Description

Caseadine belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton. Caseadine is found in Ceratocapnos heterocarpa, Corydalis caseana and Dasymaschalon sootepense. Caseadine was first documented in 2021 (PMID: 33553864). Based on a literature review very few articles have been published on Caseadine.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 48 51  0  0  0  0  0  0  0  0999 V2000
   -3.9130    3.8789    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5028    2.5983    0.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6820    1.4807    0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3060    1.5879    0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5283    0.4564    0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0406   -0.8190    0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3933   -0.9353    0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1890    0.2033   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5752    0.0374   -0.1899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1649   -1.2234   -0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0933   -1.9512    0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0744   -1.7347   -0.4638 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9880   -2.7988   -0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8480   -2.4096    1.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7113   -1.3299    0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0461   -1.3137    0.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8142   -0.2743    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2595    0.7286   -0.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0017    1.7717   -1.0863 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3937    1.7761   -0.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8777    0.6671   -0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3323    1.6661   -1.5240 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0957   -0.3576   -0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6109   -0.4132   -0.4783 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0323    0.5052    0.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6461    4.6851    0.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3320    3.8651    1.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1484    4.0056   -0.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8716    2.5577    0.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8085   -1.9333   -0.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8667   -1.7362   -1.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2610   -1.0765   -0.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9168   -1.8369    0.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5898   -2.8794   -0.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8642   -2.1910    1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4155   -3.7083    0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6480   -2.9351   -1.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1623   -1.9356    1.7735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3918   -3.2679    1.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5696   -2.0668    1.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8717   -0.2719    0.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8148    0.7755   -1.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5508    2.0242    0.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9027    2.5214   -1.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3866    1.7572   -1.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4351    0.0140   -1.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2688    1.5385    0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545    0.2975    1.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 23  2  0
 23 24  1  0
 24 25  1  0
 23 21  1  0
 21 22  1  0
 21 18  2  0
 18 19  1  0
 19 20  1  0
 18 17  1  0
 17 16  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  8  3  1  0
 25  5  1  0
 24 12  1  0
 16 15  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
 11 34  1  0
 11 35  1  0
 13 36  1  0
 13 37  1  0
 14 38  1  0
 14 39  1  0
 24 46  1  6
 25 47  1  0
 25 48  1  0
 22 45  1  0
 20 42  1  0
 20 43  1  0
 20 44  1  0
 17 41  1  0
 16 40  1  0
  7 30  1  0
 10 31  1  0
 10 32  1  0
 10 33  1  0
M  END


  Mrv1652304282200252D          

 25 28  0  0  1  0            999 V2000
    2.8748    0.7243    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6048    1.5039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1449    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550    1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2251    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352   -1.1466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8453   -1.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149   -0.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7946    1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058    0.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4459    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3657   -0.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1758   -0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  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  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  1 17  1  0  0  0  0
 16 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
 15 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0050957

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C(CN3CCC4=C([C@@H]3C2)C(O)=C(OC)C=C4)C=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C20H23NO4/c1-23-16-5-4-12-6-7-21-11-14-10-18(25-3)17(24-2)9-13(14)8-15(21)19(12)20(16)22/h4-5,9-10,15,22H,6-8,11H2,1-3H3/t15-/m0/s1

> <INCHI_KEY>
HXHKKYNHNQVAAX-HNNXBMFYSA-N

> <FORMULA>
C20H23NO4

> <MOLECULAR_WEIGHT>
341.407

> <EXACT_MASS>
341.162708225

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
38.01789618338306

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(12bS)-2,3,11-trimethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-12-ol

> <ALOGPS_LOGP>
2.81

> <JCHEM_LOGP>
3.0020806643333335

> <ALOGPS_LOGS>
-3.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.214884305098753

> <JCHEM_PKA_STRONGEST_BASIC>
6.281905416767713

> <JCHEM_POLAR_SURFACE_AREA>
51.16000000000001

> <JCHEM_REFRACTIVITY>
96.8732

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.27e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
caseadine

> <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       5.366   1.352   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       4.862   2.807   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       5.870   3.971   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.383   3.680   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.887   2.225   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.879   1.061   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.383  -0.394   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.895  -0.685   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.903   0.479   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.399   1.934   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.399  -2.140   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      10.911  -2.431   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.375  -1.558   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.350   3.098   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.342   1.934   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.846   0.479   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.358   0.188   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.838  -0.685   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.326  -0.394   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.179   1.061   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.830   2.225   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.691   1.352   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -2.699   0.188   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -0.683  -1.558   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -2.195  -1.267   0.000  0.00  0.00           C+0
CONECT    1    2    6   17                                                  
CONECT    2    1    3   14                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8   13                                                  
CONECT    8    7    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9    5                                                       
CONECT   11    8   12                                                       
CONECT   12   11                                                            
CONECT   13    7                                                            
CONECT   14    2   15                                                       
CONECT   15   14   16   21                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16    1                                                       
CONECT   18   16   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20   15                                                       
CONECT   22   20   23                                                       
CONECT   23   22                                                            
CONECT   24   19   25                                                       
CONECT   25   24                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   56    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₃NO₄

Average Mass

341.4070 Da

Monoisotopic Mass

341.16271 Da

IUPAC Name

(12bS)-2,3,11-trimethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-12-ol

Traditional Name

caseadine

CAS Registry Number

Not Available

SMILES

COC1=CC2=C(CN3CCC4=C([C@@H]3C2)C(O)=C(OC)C=C4)C=C1OC

InChI Identifier

InChI=1S/C20H23NO4/c1-23-16-5-4-12-6-7-21-11-14-10-18(25-3)17(24-2)9-13(14)8-15(21)19(12)20(16)22/h4-5,9-10,15,22H,6-8,11H2,1-3H3/t15-/m0/s1

InChI Key

HXHKKYNHNQVAAX-HNNXBMFYSA-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
Ceratocapnos heterocarpa	Plant	KNApSAcK
Corydalis caseana	Plant	KNApSAcK
Dasymaschalon sootepense	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Protoberberine alkaloids and derivatives

Sub Class

Not Available

Direct Parent

Protoberberine alkaloids and derivatives

Alternative Parents

Substituents

Protoberberine skeleton
Tetrahydroprotoberberine skeleton
Tetrahydroisoquinoline
Anisole
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
Aralkylamine
Benzenoid
Tertiary amine
Tertiary aliphatic amine
Ether
Azacycle
Organoheterocyclic compound
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Hydrocarbon derivative
Amine
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

alkaloid (CHEBI:3447 )
Isoquinoline alkaloids (C09377 )

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	2.81	ALOGPS
logP	3	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	9.21	ChemAxon
pKa (Strongest Basic)	6.28	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	51.16 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	96.87 m³·mol⁻¹	ChemAxon
Polarizability	38.02 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

C00001832

Chemspider ID

390696

KEGG Compound ID

C09377

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

442188

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Jahan A, Shams S, Ali S, Samrana S, Ali A, Adhikari A, Sajid M, Ali A, Ali H: Govaniadine Ameliorates Oxidative Stress, Inflammation, and Kupffer Cell Activation in Carbon Tetrachloride-Induced Hepatotoxicity in Rats. ACS Omega. 2021 Jan 21;6(4):2462-2472. doi: 10.1021/acsomega.0c02261. eCollection 2021 Feb 2. [PubMed:33553864 ]

Showing NP-Card for Caseadine (NP0050957)

MOL for NP0050957 (Caseadine)

3D MOL for NP0050957 (Caseadine)

3D SDF for NP0050957 (Caseadine)

3D-SDF for NP0050957 (Caseadine)

PDB for NP0050957 (Caseadine)

3D PDB for NP0050957 (Caseadine)

SMILES for NP0050957 (Caseadine)

INCHI for NP0050957 (Caseadine)

Structure for NP0050957 (Caseadine)

3D Structure for NP0050957 (Caseadine)