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Showing NP-Card for Lindolin D (NP0351815)

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Record Information
Version2.0
Created at2025-11-08 08:45:13 UTC
Updated at2025-11-09 01:00:49 UTC
NP-MRD IDNP0351815
Natural Product DOIhttps://doi.org/10.57994/4885
Secondary Accession NumbersNone
Natural Product Identification
Common NameLindolin D
DescriptionNot Available
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0351815 (Lindolin D)


  Mrv2104 05152301572D          

 19 21  0  0  0  0            999 V2000
   -0.4752   -1.7084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768   -2.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781   -3.1062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9851   -3.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -4.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0470   -4.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5990   -3.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3441   -2.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371   -2.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    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  2  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  2  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  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
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
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3D MOL for NP0351815 (Lindolin D)

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3D SDF for NP0351815 (Lindolin D)

  Mrv2104 05152301572D          

 19 21  0  0  0  0            999 V2000
   -0.4752   -1.7084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768   -2.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781   -3.1062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9851   -3.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -4.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0470   -4.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5990   -3.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3441   -2.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371   -2.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    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  2  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  2  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  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
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0351815

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O=C(CC1=CNC2=CC=CC=C12)NC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H14N2O/c19-16(18-13-6-2-1-3-7-13)10-12-11-17-15-9-5-4-8-14(12)15/h1-9,11,17H,10H2,(H,18,19)

> <INCHI_KEY>
WGJQECCUBXMMOE-UHFFFAOYSA-N

> <FORMULA>
C16H14N2O

> <MOLECULAR_WEIGHT>
250.301

> <EXACT_MASS>
250.110613079

$$$$

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3D-SDF for NP0351815 (Lindolin D)
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PDB for NP0351815 (Lindolin D)
HEADER    PROTEIN                                 15-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-23         0                                  
HETATM    1  O   UNK     0      -0.887  -3.189   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       0.143  -4.334   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -0.333  -5.798   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      -1.839  -6.118   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.315  -7.583   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.821  -7.903   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.852  -6.759   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.376  -5.294   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.869  -4.974   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.650  -4.013   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.126  -2.549   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       2.126  -0.057   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   10                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8    4                                                       
CONECT   10    2   11                                                       
CONECT   11   10   12   19                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   14   11                                                  
MASTER        0    0    0    0    0    0    0    0   19    0   42    0
END

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3D PDB for NP0351815 (Lindolin D)
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SMILES for NP0351815 (Lindolin D)
O=C(CC1=CNC2=CC=CC=C12)NC1=CC=CC=C1
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INCHI for NP0351815 (Lindolin D)
InChI=1S/C16H14N2O/c19-16(18-13-6-2-1-3-7-13)10-12-11-17-15-9-5-4-8-14(12)15/h1-9,11,17H,10H2,(H,18,19)
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SynonymsNot Available
Chemical FormulaC16H14N2O
Average Mass250.3010 Da
Monoisotopic Mass250.11061 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
O=C(CC1=CNC2=CC=CC=C12)NC1=CC=CC=C1
InChI Identifier
InChI=1S/C16H14N2O/c19-16(18-13-6-2-1-3-7-13)10-12-11-17-15-9-5-4-8-14(12)15/h1-9,11,17H,10H2,(H,18,19)
InChI KeyWGJQECCUBXMMOE-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)johannes.rassbach@uni-jena.deFriedrich-Schiller-University JenaJohannes Rassbach2025-11-08View Spectrum
ROESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)johannes.rassbach@uni-jena.deFriedrich-Schiller-University JenaJohannes Rassbach2025-11-08View Spectrum
1D_DEPT NMR13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)johannes.rassbach@uni-jena.deFriedrich-Schiller-University JenaJohannes Rassbach2025-11-08View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)johannes.rassbach@uni-jena.deFriedrich-Schiller-University JenaJohannes Rassbach2025-11-08View Spectrum
TOCSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)johannes.rassbach@uni-jena.deFriedrich-Schiller-University JenaJohannes Rassbach2025-11-08View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)johannes.rassbach@uni-jena.deFriedrich-Schiller-University JenaJohannes Rassbach2025-11-08View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)johannes.rassbach@uni-jena.deFriedrich-Schiller-University JenaJohannes Rassbach2025-11-08View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)johannes.rassbach@uni-jena.deFriedrich-Schiller-University JenaJohannes Rassbach2025-11-08View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600.0, C2D6OS, simulated)johannes.rassbach@uni-jena.deFriedrich-Schiller-University JenaJohannes Rassbach2025-11-08View Spectrum
1D NMR13C NMR Spectrum (1D, 150.0, C2D6OS, simulated)johannes.rassbach@uni-jena.deFriedrich-Schiller-University JenaJohannes Rassbach2025-11-08View Spectrum
Species
Species of OriginNot 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