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Showing NP-Card for cofalcarinol A (NP0353238)

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Record Information
Version2.0
Created at2026-02-19 11:46:20 UTC
Updated at2026-02-19 12:04:01 UTC
NP-MRD IDNP0353238
Natural Product DOIhttps://doi.org/10.57994/7677
Secondary Accession NumbersNone
Natural Product Identification
Common Namecofalcarinol A
Description cofalcarinol A was first documented in 2020 (PMID: 33021790).
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0353238 (cofalcarinol A)


  Mrv2104 03202308582D          

 17 16  0  0  1  0            999 V2000
    1.7605   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.4586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4750    1.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  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  1  0  0  0  0
 10 11  3  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
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3D MOL for NP0353238 (cofalcarinol A)

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3D SDF for NP0353238 (cofalcarinol A)

  Mrv2104 03202308582D          

 17 16  0  0  1  0            999 V2000
    1.7605   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.4586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4750    1.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  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  1  0  0  0  0
 10 11  3  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0353238

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H](C=C)C#CC#CC\C=C/CCCCC=C

> <INCHI_IDENTIFIER>
InChI=1S/C16H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h3-4,9-10,16-17H,1-2,5-8,11H2/b10-9-/t16-/m0/s1

> <INCHI_KEY>
LDMPZFPSGKBIRL-YDZSZYSISA-N

> <FORMULA>
C16H20O

> <MOLECULAR_WEIGHT>
228.335

> <EXACT_MASS>
228.151415264

$$$$

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3D-SDF for NP0353238 (cofalcarinol A)
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PDB for NP0353238 (cofalcarinol A)
HEADER    PROTEIN                                 20-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAR-23         0                                  
HETATM    1  C   UNK     0       3.286  -3.437   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.620  -2.667   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.954  -3.437   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.287  -2.667   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.621  -3.437   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.955  -2.667   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.288  -3.437   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.622  -2.667   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.622  -1.127   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.288  -0.357   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.955   0.413   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.621   1.183   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.287   1.953   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.954   2.723   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.620   1.953   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.954   4.263   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.620   5.033   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   32    0
END

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3D PDB for NP0353238 (cofalcarinol A)
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SMILES for NP0353238 (cofalcarinol A)
O[C@@H](C=C)C#CC#CC\C=C/CCCCC=C
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INCHI for NP0353238 (cofalcarinol A)
InChI=1S/C16H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h3-4,9-10,16-17H,1-2,5-8,11H2/b10-9-/t16-/m0/s1
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SynonymsNot Available
Chemical FormulaC16H20O
Average Mass228.3350 Da
Monoisotopic Mass228.15142 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
O[C@@H](C=C)C#CC#CC\C=C/CCCCC=C
InChI Identifier
InChI=1S/C16H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h3-4,9-10,16-17H,1-2,5-8,11H2/b10-9-/t16-/m0/s1
InChI KeyLDMPZFPSGKBIRL-YDZSZYSISA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 400.0, Chloroform-d, simulated)[email protected]Not AvailableNot Available2026-02-19View Spectrum
1D NMR13C NMR Spectrum (1D, 100.0, Chloroform-d, simulated)[email protected]Not AvailableNot Available2026-02-19View Spectrum
Species
Species of Origin
Species NameSourceReference
Homo sapiens
      Not Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
External LinksNot Available
References
General References
  1. DOI: 10.1021/acs.jnatprod.0c00642
  2. PMID: 33021790