NP-MRD: Showing NP-Card for Quintaquinone (NP0352890)

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Record Information

Version

2.0

Created at

2026-02-15 23:58:05 UTC

Updated at

2026-02-16 00:05:24 UTC

NP-MRD ID

NP0352890

Natural Product DOI

https://doi.org/10.57994/7186

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Quintaquinone

Description

Quintaquinone was first documented in 2020 (PMID: 32040314).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03162321102D          

 34 36  0  0  1  0            999 V2000
    1.9189    2.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4817    1.9193    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0446    1.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2201    1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1673    1.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2699    2.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1174    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0944    2.6478    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7071    3.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5316    3.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3561    3.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7434    2.5902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5679    2.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    1.8905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9902    1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207    0.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207   -0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062   -0.5845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7352   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7352   -1.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4496   -0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1641   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8786   -0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5931   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3075   -0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0220   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7365   -0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0220   -1.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4496    0.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1641    1.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8786    0.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7352    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7352    1.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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
  6  7  2  0  0  0  0
  8  6  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  6  0  0  0
 14 12  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 22 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 17 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END


  Mrv2104 03162321102D          

 34 36  0  0  1  0            999 V2000
    1.9189    2.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4817    1.9193    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0446    1.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2201    1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1673    1.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2699    2.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1174    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0944    2.6478    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7071    3.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5316    3.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3561    3.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7434    2.5902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5679    2.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    1.8905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9902    1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207    0.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207   -0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062   -0.5845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7352   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7352   -1.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4496   -0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1641   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8786   -0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5931   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3075   -0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0220   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7365   -0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0220   -1.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4496    0.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1641    1.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8786    0.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7352    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7352    1.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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
  6  7  2  0  0  0  0
  8  6  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  6  0  0  0
 14 12  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 22 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 17 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0352890

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C(CCCCC(C)=O)=C(OC)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H40O5/c1-17-10-9-13-22-27(17,4)15-14-18(2)28(22,5)16-21-24(31)23(30)20(26(33-6)25(21)32)12-8-7-11-19(3)29/h18,22,31H,1,7-16H2,2-6H3/t18-,22+,27+,28+/m0/s1

> <INCHI_KEY>
RRXWRSIENLNFGZ-VSVHXCGQSA-N

> <FORMULA>
C28H40O5

> <MOLECULAR_WEIGHT>
456.623

> <EXACT_MASS>
456.287574388

$$$$

HEADER    PROTEIN                                 16-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-MAR-23         0                                  
HETATM    1  H   UNK     0       3.582   4.889   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       2.766   3.583   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.950   2.277   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.411   2.330   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.312   3.690   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.504   4.996   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.219   6.356   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.043   4.942   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.320   6.302   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.859   6.248   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.398   6.195   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.121   4.835   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.660   4.781   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.305   3.529   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.582   2.668   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.305   1.989   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.639   1.219   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.639  -0.321   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       4.305  -1.091   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       6.972  -1.091   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.972  -2.631   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       8.306  -0.321   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.640  -1.091   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.973  -0.321   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.307  -1.091   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      13.641  -0.321   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      14.974  -1.091   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      16.308  -0.321   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      14.974  -2.631   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       8.306   1.219   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       9.640   1.989   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      10.973   1.219   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.972   1.989   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       6.972   3.529   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8   14                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    2    9   10                                             
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    2   15   16                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   33                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   30                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   22   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30   17   34                                                  
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₄₀O₅

Average Mass

456.6230 Da

Monoisotopic Mass

456.28757 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C(CCCCC(C)=O)=C(OC)C1=O

InChI Identifier

InChI=1S/C28H40O5/c1-17-10-9-13-22-27(17,4)15-14-18(2)28(22,5)16-21-24(31)23(30)20(26(33-6)25(21)32)12-8-7-11-19(3)29/h18,22,31H,1,7-16H2,2-6H3/t18-,22+,27+,28+/m0/s1

InChI Key

RRXWRSIENLNFGZ-VSVHXCGQSA-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, Benzene-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125.0, Benzene-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-15	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Verongula cf. rigida		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 Quintaquinone (NP0352890)

MOL for NP0352890 (Quintaquinone)

3D MOL for NP0352890 (Quintaquinone)

3D SDF for NP0352890 (Quintaquinone)

3D-SDF for NP0352890 (Quintaquinone)

PDB for NP0352890 (Quintaquinone)

3D PDB for NP0352890 (Quintaquinone)

SMILES for NP0352890 (Quintaquinone)

INCHI for NP0352890 (Quintaquinone)

Structure for NP0352890 (Quintaquinone)

3D Structure for NP0352890 (Quintaquinone)