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Showing NP-Card for Cofalcarinol D (NP0353249)

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Record Information
Version2.0
Created at2026-02-19 14:53:43 UTC
Updated at2026-02-19 16:01:10 UTC
NP-MRD IDNP0353249
Natural Product DOIhttps://doi.org/10.57994/7689
Secondary Accession NumbersNone
Natural Product Identification
Common NameCofalcarinol D
Description Cofalcarinol D was first documented in 2020 (PMID: 33021790).
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0353249 (Cofalcarinol D)


  Mrv2104 03202312062D          

 16 15  0  0  0  0            999 V2000
   -0.1914   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    3.4105    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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  3  0  0  0  0
 10 11  1  0  0  0  0
 11 12  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
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3D MOL for NP0353249 (Cofalcarinol D)

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3D SDF for NP0353249 (Cofalcarinol D)

  Mrv2104 03202312062D          

 16 15  0  0  0  0            999 V2000
   -0.1914   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    3.4105    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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  3  0  0  0  0
 10 11  1  0  0  0  0
 11 12  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0353249

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC(C=C)C#CC#CC\C=C/CCCC=C

> <INCHI_IDENTIFIER>
InChI=1/C15H18O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3-4,8-9,15-16H,1-2,5-7,10H2/b9-8-

> <INCHI_KEY>
QYKLAXXIXPIANQ-HJWRWDBZNA-N

> <FORMULA>
C15H18O

> <MOLECULAR_WEIGHT>
214.308

> <EXACT_MASS>
214.1357652

$$$$

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3D-SDF for NP0353249 (Cofalcarinol D)
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PDB for NP0353249 (Cofalcarinol D)
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      -0.357  -1.334   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.976  -2.104   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.310  -1.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.644  -2.104   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.977  -1.334   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.311  -2.104   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.645  -1.334   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.645   0.206   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.311   0.976   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.977   1.746   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.644   2.516   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.310   3.286   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.976   4.056   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -0.357   3.286   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.976   5.596   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.357   6.366   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   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   30    0
END

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3D PDB for NP0353249 (Cofalcarinol D)
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SMILES for NP0353249 (Cofalcarinol D)
OC(C=C)C#CC#CC\C=C/CCCC=C
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INCHI for NP0353249 (Cofalcarinol D)
InChI=1/C15H18O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3-4,8-9,15-16H,1-2,5-7,10H2/b9-8-
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View in JSmol
SynonymsNot Available
Chemical FormulaC15H18O
Average Mass214.3080 Da
Monoisotopic Mass214.13577 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
OC(C=C)C#CC#CC\C=C/CCCC=C
InChI Identifier
InChI=1/C15H18O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3-4,8-9,15-16H,1-2,5-7,10H2/b9-8-
InChI KeyQYKLAXXIXPIANQ-HJWRWDBZNA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
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