NP-MRD: Showing NP-Card for Califuranone A2 (NP0353507)

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Record Information

Version

2.0

Created at

2026-02-22 11:55:56 UTC

Updated at

2026-02-22 12:08:39 UTC

NP-MRD ID

NP0353507

Natural Product DOI

https://doi.org/10.57994/8015

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Califuranone A2

Description

Califuranone A2 was first documented in 2021 (PMID: 33656895).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03232309082D          

 26 27  0  0  1  0            999 V2000
   -6.2116   -2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4971   -1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7826   -2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0681   -1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3537   -2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6392   -1.7052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6392   -0.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9247   -2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9247   -2.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103   -1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -2.1177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4095   -2.9382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3974   -3.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330   -3.8634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8099   -2.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2579   -1.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128   -0.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0392   -0.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2157    0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    0.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2776    1.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5747   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -0.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8718   -1.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169   -2.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1689   -2.8368    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
  6  5  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 15 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END


  Mrv2104 03232309082D          

 26 27  0  0  1  0            999 V2000
   -6.2116   -2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4971   -1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7826   -2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0681   -1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3537   -2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6392   -1.7052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6392   -0.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9247   -2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9247   -2.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103   -1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -2.1177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4095   -2.9382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3974   -3.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330   -3.8634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8099   -2.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2579   -1.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128   -0.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0392   -0.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2157    0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    0.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2776    1.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5747   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -0.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8718   -1.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169   -2.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1689   -2.8368    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
  6  5  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 15 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0353507

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCC[C@H](O)C(=O)C[C@@H]1OC(=O)C2=C1C(CC=C(C)C)=CC=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C21H28O5/c1-4-5-6-7-15(22)17(24)12-18-19-14(9-8-13(2)3)10-11-16(23)20(19)21(25)26-18/h8,10-11,15,18,22-23H,4-7,9,12H2,1-3H3/t15-,18-/m0/s1

> <INCHI_KEY>
MFBZRUZAVGNJMK-YJBOKZPZSA-N

> <FORMULA>
C21H28O5

> <MOLECULAR_WEIGHT>
360.45

> <EXACT_MASS>
360.193674002

$$$$

HEADER    PROTEIN                                 23-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-MAR-23         0                                  
HETATM    1  C   UNK     0     -11.595  -3.953   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -10.261  -3.183   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.928  -3.953   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -7.594  -3.183   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.260  -3.953   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.926  -3.183   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -4.926  -1.643   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -3.593  -3.953   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -3.593  -5.493   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -2.259  -3.183   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.925  -3.953   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.764  -5.485   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       0.742  -5.805   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.368  -7.212   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.512  -4.471   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.481  -3.327   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.957  -1.862   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.073  -0.718   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.403   0.747   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.909   1.067   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.385   2.532   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.940  -0.077   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.464  -1.542   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.494  -2.686   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.018  -4.151   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       4.049  -5.295   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   25                                                  
CONECT   16   15   11   17                                                  
CONECT   17   16   18   23                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   17   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   15   26                                                  
CONECT   26   25                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₂₈O₅

Average Mass

360.4500 Da

Monoisotopic Mass

360.19367 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCC[C@H](O)C(=O)C[C@@H]1OC(=O)C2=C1C(CC=C(C)C)=CC=C2O

InChI Identifier

InChI=1S/C21H28O5/c1-4-5-6-7-15(22)17(24)12-18-19-14(9-8-13(2)3)10-11-16(23)20(19)21(25)26-18/h8,10-11,15,18,22-23H,4-7,9,12H2,1-3H3/t15-,18-/m0/s1

InChI Key

MFBZRUZAVGNJMK-YJBOKZPZSA-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, 800.0, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200.0, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-22	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Aspergillus californicus IBT 16748		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 Califuranone A2 (NP0353507)

MOL for NP0353507 (Califuranone A2)

3D MOL for NP0353507 (Califuranone A2)

3D SDF for NP0353507 (Califuranone A2)

3D-SDF for NP0353507 (Califuranone A2)

PDB for NP0353507 (Califuranone A2)

3D PDB for NP0353507 (Califuranone A2)

SMILES for NP0353507 (Califuranone A2)

INCHI for NP0353507 (Califuranone A2)

Structure for NP0353507 (Califuranone A2)

3D Structure for NP0353507 (Califuranone A2)