NP-MRD: Showing NP-Card for Nigellidine (NP0070196)

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Record Information

Version

2.0

Created at

2022-04-28 15:28:05 UTC

Updated at

2022-04-28 15:28:05 UTC

NP-MRD ID

NP0070196

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Nigellidine

Description

Nigellidine belongs to the class of organic compounds known as pyridazinoindazoles. Pyridazinoindazoles are compounds containing a pyridazinoindazole moiety, which consists of a pyridazine ring fused to an indazole. Nigellidine is found in Nigella sativa . Nigellidine was first documented in 2021 (PMID: 34221083). Based on a literature review a small amount of articles have been published on Nigellidine (PMID: 35355337) (PMID: 34937447) (PMID: 34886775) (PMID: 34518755).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 43  0  0  0  0  0  0  0  0999 V2000
   -4.7207   -2.0371    1.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3366   -1.6076    0.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0796   -0.2679    0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859    0.0840    0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1726    1.2492   -0.0586 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0899    1.0627   -0.3407 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4270   -0.2655   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7778   -0.8013   -0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996   -0.2617   -1.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0141   -0.6689   -1.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4737   -1.6390   -0.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7922   -2.0760   -0.4459 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002   -2.2012    0.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2851   -1.7634    0.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7242   -0.9424    0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0772   -2.2463    0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1987   -3.1387    0.1292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3744   -2.5743    0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9730    2.1790   -0.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4826    3.4335    0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9157    3.6821   -0.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8209    2.5614   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2048   -1.2680    1.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3076   -2.1024    0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7303   -2.9928    1.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8535    0.4866    0.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3396    0.4801   -1.9631 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7224   -0.2375   -2.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1175   -2.7883    0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9102   -2.9709    1.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6767   -2.2079    1.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5946   -3.6387    0.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611    1.9629   -0.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0372    2.3860   -1.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4912    3.2518    1.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1717    4.2383   -0.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8614    3.7289   -1.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3282    4.6209   -0.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2559    2.7101    0.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6999    2.5806   -0.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2 18  2  0
 18 16  1  0
 16 17  2  0
 16 15  1  0
 15  7  2  0
  7  6  1  0
  6 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22  5  1  0
  5  4  1  0
  4  3  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  3  2  1  0
 14  8  1  0
  4 15  1  0
  5  6  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
 18 32  1  0
 19 33  1  0
 19 34  1  0
 20 35  1  0
 20 36  1  0
 21 37  1  0
 21 38  1  0
 22 39  1  0
 22 40  1  0
  3 26  1  0
  9 27  1  0
 10 28  1  0
 12 29  1  0
 13 30  1  0
 14 31  1  0
M  END


  Mrv1652304282217282D          

 22 25  0  0  0  0            999 V2000
    2.6014   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.5840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -0.2006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339   -0.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339   -1.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484   -1.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484   -2.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339   -3.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195   -2.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195   -1.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339   -3.9855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575    1.6387    0.0000 C   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
  1  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
  4 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
  3 16  1  0  0  0  0
  2 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
  1 20  1  0  0  0  0
 20 21  2  0  0  0  0
 18 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0070196

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC(=O)C2=C(N3CCCCN3C2=C1)C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H18N2O2/c1-12-10-15-17(16(22)11-12)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11,21H,2-3,8-9H2,1H3

> <INCHI_KEY>
HJKNBAAMIKPHJF-UHFFFAOYSA-N

> <FORMULA>
C18H18N2O2

> <MOLECULAR_WEIGHT>
294.354

> <EXACT_MASS>
294.136827828

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
32.889795272151375

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
11-(4-hydroxyphenyl)-3-methyl-1H,6H,7H,8H,9H-pyridazino[1,2-a]indazol-1-one

> <ALOGPS_LOGP>
2.32

> <JCHEM_LOGP>
1.4137148629999996

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.938121170316563

> <JCHEM_PKA_STRONGEST_BASIC>
1.7144138356730823

> <JCHEM_POLAR_SURFACE_AREA>
43.78

> <JCHEM_REFRACTIVITY>
89.4564

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.55e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
11-(4-hydroxyphenyl)-3-methyl-6H,7H,8H,9H-pyridazino[1,2-a]indazol-1-one

> <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       4.856  -0.374   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.380   1.090   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       2.840   1.090   0.000  0.00  0.00           N+0
HETATM    4  N   UNK     0       2.364  -0.374   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       3.610  -1.280   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.610  -2.820   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.944  -3.590   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.944  -5.130   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.610  -5.900   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.276  -5.130   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.276  -3.590   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       3.610  -7.440   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       0.858  -0.695   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.173   0.450   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.303   1.914   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.810   2.235   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.410   2.235   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.917   1.914   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.393   0.450   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.362  -0.695   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.838  -2.159   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       7.947   3.059   0.000  0.00  0.00           C+0
CONECT    1    2    5   20                                                  
CONECT    2    1    3   17                                                  
CONECT    3    2    4   16                                                  
CONECT    4    3    5   13                                                  
CONECT    5    4    1    6                                                  
CONECT    6    5    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10    6                                                       
CONECT   12    9                                                            
CONECT   13    4   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15    3                                                       
CONECT   17    2   18                                                       
CONECT   18   17   19   22                                                  
CONECT   19   18   20                                                       
CONECT   20   19    1   21                                                  
CONECT   21   20                                                            
CONECT   22   18                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₁₈N₂O₂

Average Mass

294.3540 Da

Monoisotopic Mass

294.13683 Da

IUPAC Name

11-(4-hydroxyphenyl)-3-methyl-1H,6H,7H,8H,9H-pyridazino[1,2-a]indazol-1-one

Traditional Name

11-(4-hydroxyphenyl)-3-methyl-6H,7H,8H,9H-pyridazino[1,2-a]indazol-1-one

CAS Registry Number

Not Available

SMILES

CC1=CC(=O)C2=C(N3CCCCN3C2=C1)C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C18H18N2O2/c1-12-10-15-17(16(22)11-12)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11,21H,2-3,8-9H2,1H3

InChI Key

HJKNBAAMIKPHJF-UHFFFAOYSA-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
Nigella sativa	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyridazinoindazoles. Pyridazinoindazoles are compounds containing a pyridazinoindazole moiety, which consists of a pyridazine ring fused to an indazole.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrazoles

Sub Class

Indazoles

Direct Parent

Pyridazinoindazoles

Alternative Parents

Substituents

Pyridazinoindazole
Phenylpyrazole
Phenol
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Pyridazine
Benzenoid
Vinylogous amide
Azole
Pyrazole
Heteroaromatic compound
Azacycle
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
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	2.32	ALOGPS
logP	1.41	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	8.94	ChemAxon
pKa (Strongest Basic)	1.71	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	43.78 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	89.46 m³·mol⁻¹	ChemAxon
Polarizability	32.89 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

C00028687

Chemspider ID

103869973

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

136828302

PDB ID

Not Available

ChEBI ID

168453

Good Scents ID

Not Available

References

General References

Tegen D, Dessie K, Damtie D: Candidate Anti-COVID-19 Medicinal Plants from Ethiopia: A Review of Plants Traditionally Used to Treat Viral Diseases. Evid Based Complement Alternat Med. 2021 Jun 4;2021:6622410. doi: 10.1155/2021/6622410. eCollection 2021. [PubMed:34221083 ]
Gonzalez BL, de Oliveira NC, Ritter MR, Tonin FS, Melo EB, Sanches ACC, Fernandez-Llimos F, Petruco MV, de Mello JCP, Chierrito D, de Medeiros Araujo DC: The naturally-derived alkaloids as a potential treatment for COVID-19: A scoping review. Phytother Res. 2022 Mar 30. doi: 10.1002/ptr.7442. [PubMed:35355337 ]
Banerjee A, Kanwar M, Das Mohapatra PK, Saso L, Nicoletti M, Maiti S: Nigellidine (Nigella sativa, black-cumin seed) docking to SARS CoV-2 nsp3 and host inflammatory proteins may inhibit viral replication/transcription and FAS-TNF death signal via TNFR 1/2 blocking. Nat Prod Res. 2022 Nov;36(22):5817-5822. doi: 10.1080/14786419.2021.2018430. Epub 2021 Dec 22. [PubMed:34937447 ]
Saha S, Pal D, Nimse SB: Indazole Derivatives Effective against Gastrointestinal Diseases. Curr Top Med Chem. 2022;22(14):1189-1214. doi: 10.2174/1568026621666211209155933. [PubMed:34886775 ]
Mir SA, Firoz A, Alaidarous M, Alshehri B, Bin Dukhyil AA, Banawas S, Alsagaby SA, Alturaiki W, Bhat GA, Kashoo F, Abdel-Hadi AM: Identification of SARS-CoV-2 RNA-dependent RNA polymerase inhibitors from the major phytochemicals of Nigella sativa: An in silico approach. Saudi J Biol Sci. 2022 Jan;29(1):394-401. doi: 10.1016/j.sjbs.2021.09.002. Epub 2021 Sep 8. [PubMed:34518755 ]

Showing NP-Card for Nigellidine (NP0070196)

MOL for NP0070196 (Nigellidine)

3D MOL for NP0070196 (Nigellidine)

3D SDF for NP0070196 (Nigellidine)

3D-SDF for NP0070196 (Nigellidine)

PDB for NP0070196 (Nigellidine)

3D PDB for NP0070196 (Nigellidine)

SMILES for NP0070196 (Nigellidine)

INCHI for NP0070196 (Nigellidine)

Structure for NP0070196 (Nigellidine)

3D Structure for NP0070196 (Nigellidine)