NP-MRD: Showing NP-Card for Lindolin I (NP0351820)

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Record Information

Version

2.0

Created at

2025-11-08 09:02:01 UTC

Updated at

2025-11-09 01:00:52 UTC

NP-MRD ID

NP0351820

Natural Product DOI

https://doi.org/10.57994/4890

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Lindolin I

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05152302142D          

 24 26  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
   -0.6880   -4.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429   -5.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3909   -6.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6459   -6.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190   -4.5039    0.0000 O   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  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  4 14  1  0  0  0  0
  2 15  1  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  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0351820

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCOC(=O)C1=C(NC(=O)CC2=CNC3=CC=CC=C23)C=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H18N2O3/c1-2-24-19(23)15-8-4-6-10-17(15)21-18(22)11-13-12-20-16-9-5-3-7-14(13)16/h3-10,12,20H,2,11H2,1H3,(H,21,22)

> <INCHI_KEY>
FBIWDWQZXNMXGC-UHFFFAOYSA-N

> <FORMULA>
C19H18N2O3

> <MOLECULAR_WEIGHT>
322.364

> <EXACT_MASS>
322.131742448

$$$$

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      -1.284  -8.727   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.760 -10.192   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -0.730 -11.336   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.206 -12.801   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.222  -8.407   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -3.821  -7.903   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.852  -6.759   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.376  -5.294   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.869  -4.974   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.650  -4.013   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.126  -2.549   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       2.126  -0.057   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   15                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   14                                                  
CONECT    5    4    6   11                                                  
CONECT    6    5    7   10                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    6                                                            
CONECT   11    5   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    4                                                       
CONECT   15    2   16                                                       
CONECT   16   15   17   24                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   19   16                                                  
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₁₈N₂O₃

Average Mass

322.3640 Da

Monoisotopic Mass

322.13174 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCOC(=O)C1=C(NC(=O)CC2=CNC3=CC=CC=C23)C=CC=C1

InChI Identifier

InChI=1S/C19H18N2O3/c1-2-24-19(23)15-8-4-6-10-17(15)21-18(22)11-13-12-20-16-9-5-3-7-14(13)16/h3-10,12,20H,2,11H2,1H3,(H,21,22)

InChI Key

FBIWDWQZXNMXGC-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)	johannes.rassbach@uni-jena.de	Friedrich-Schiller-University Jena	Johannes Rassbach	2025-11-08	View Spectrum
TOCSY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)	johannes.rassbach@uni-jena.de	Friedrich-Schiller-University Jena	Johannes Rassbach	2025-11-08	View Spectrum
ROESY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)	johannes.rassbach@uni-jena.de	Friedrich-Schiller-University Jena	Johannes Rassbach	2025-11-08	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)	johannes.rassbach@uni-jena.de	Friedrich-Schiller-University Jena	Johannes Rassbach	2025-11-08	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)	johannes.rassbach@uni-jena.de	Friedrich-Schiller-University Jena	Johannes Rassbach	2025-11-08	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)	johannes.rassbach@uni-jena.de	Friedrich-Schiller-University Jena	Johannes Rassbach	2025-11-08	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)	johannes.rassbach@uni-jena.de	Friedrich-Schiller-University Jena	Johannes Rassbach	2025-11-08	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)	johannes.rassbach@uni-jena.de	Friedrich-Schiller-University Jena	Johannes Rassbach	2025-11-08	View Spectrum

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, C2D6OS, simulated)	johannes.rassbach@uni-jena.de	Friedrich-Schiller-University Jena	Johannes Rassbach	2025-11-08	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125.0, C2D6OS, simulated)	johannes.rassbach@uni-jena.de	Friedrich-Schiller-University Jena	Johannes Rassbach	2025-11-08	View Spectrum

Species

Species of Origin

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 Lindolin I (NP0351820)

MOL for NP0351820 (Lindolin I)

3D MOL for NP0351820 (Lindolin I)

3D SDF for NP0351820 (Lindolin I)

3D-SDF for NP0351820 (Lindolin I)

PDB for NP0351820 (Lindolin I)

3D PDB for NP0351820 (Lindolin I)

SMILES for NP0351820 (Lindolin I)

INCHI for NP0351820 (Lindolin I)

Structure for NP0351820 (Lindolin I)

3D Structure for NP0351820 (Lindolin I)