NP-MRD: Showing NP-Card for Zyzzamine B (NP0352933)

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Record Information

Version

2.0

Created at

2026-02-16 05:53:24 UTC

Updated at

2026-02-16 08:01:39 UTC

NP-MRD ID

NP0352933

Natural Product DOI

https://doi.org/10.57994/7234

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Zyzzamine B

Description

Zyzzamine B was first documented in 2020 (PMID: 31904956).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03172303062D          

 25 29  0  0  0  0            999 V2000
    1.3493   -1.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4772   -1.1562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8353   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9632    0.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7330    0.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    1.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8515    1.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662    0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3749   -0.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2470   -0.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1548   -1.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8461   -0.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5817   -1.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2730   -0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2286    0.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9199    0.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    0.4826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8018    0.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0086   -1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6999   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4355   -1.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4798   -1.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2154   -2.2087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7885   -2.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0529   -1.9120    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
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
  8 18  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 19 25  1  0  0  0  0
M  END


  Mrv2104 03172303062D          

 25 29  0  0  0  0            999 V2000
    1.3493   -1.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4772   -1.1562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8353   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9632    0.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7330    0.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    1.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8515    1.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662    0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3749   -0.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2470   -0.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1548   -1.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8461   -0.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5817   -1.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2730   -0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2286    0.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9199    0.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    0.4826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8018    0.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0086   -1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6999   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4355   -1.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4798   -1.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2154   -2.2087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7885   -2.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0529   -1.9120    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
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
  8 18  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 19 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0352933

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1CCC2=CNC3=C2C1=CC1=CC(=C(C)N=C31)C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H19N3O/c1-12-17(13-3-5-16(25)6-4-13)9-15-10-18-19-14(7-8-24(18)2)11-22-21(19)20(15)23-12/h3-6,9-11,22,25H,7-8H2,1-2H3

> <INCHI_KEY>
QIMFUKFOPJCZFJ-UHFFFAOYSA-N

> <FORMULA>
C21H19N3O

> <MOLECULAR_WEIGHT>
329.403

> <EXACT_MASS>
329.152812244

$$$$

HEADER    PROTEIN                                 17-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-MAR-23         0                                  
HETATM    1  C   UNK     0       2.519  -3.680   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       2.757  -2.158   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       1.559  -1.191   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.798   0.331   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.235   0.885   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.785   2.323   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       5.323   2.245   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       5.724   0.758   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.433  -0.083   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.194  -1.604   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.889  -2.318   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.179  -1.477   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.553  -2.175   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.843  -1.334   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.760   0.204   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.051   1.044   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       8.387   0.901   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       7.097   0.060   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.216  -2.031   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.506  -1.191   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.880  -1.888   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      13.962  -3.426   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      15.335  -4.123   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      12.672  -4.266   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.299  -3.569   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   10                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    9                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   18                                                  
CONECT    9    8    5   10                                                  
CONECT   10    9    2   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17    8   12                                                  
CONECT   19   14   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   19                                                       
MASTER        0    0    0    0    0    0    0    0   25    0   58    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₁₉N₃O

Average Mass

329.4030 Da

Monoisotopic Mass

329.15281 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CN1CCC2=CNC3=C2C1=CC1=CC(=C(C)N=C31)C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C21H19N3O/c1-12-17(13-3-5-16(25)6-4-13)9-15-10-18-19-14(7-8-24(18)2)11-22-21(19)20(15)23-12/h3-6,9-11,22,25H,7-8H2,1-2H3

InChI Key

QIMFUKFOPJCZFJ-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 500.0, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125.0, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-16	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Zyzzya fuliginosa		Not Available

Chemical Taxonomy

Classification

Not classified

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

Not Available

References

General References

Showing NP-Card for Zyzzamine B (NP0352933)

MOL for NP0352933 (Zyzzamine B)

3D MOL for NP0352933 (Zyzzamine B)

3D SDF for NP0352933 (Zyzzamine B)

3D-SDF for NP0352933 (Zyzzamine B)

PDB for NP0352933 (Zyzzamine B)

3D PDB for NP0352933 (Zyzzamine B)

SMILES for NP0352933 (Zyzzamine B)

INCHI for NP0352933 (Zyzzamine B)

Structure for NP0352933 (Zyzzamine B)

3D Structure for NP0352933 (Zyzzamine B)