NP-MRD: Showing NP-Card for Leucobryn A (NP0352939)

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Record Information

Version

2.0

Created at

2026-02-16 06:59:10 UTC

Updated at

2026-02-16 08:01:40 UTC

NP-MRD ID

NP0352939

Natural Product DOI

https://doi.org/10.57994/7240

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Leucobryn A

Description

Leucobryn A was first documented in 2020 (PMID: 32077277).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03172304122D          

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M  END


  Mrv2104 03172304122D          

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M  END
> <DATABASE_ID>
NP0352939

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O)=C2C3=CC=C(O)C(CCC(C)(C)O)=C3C(=O)C(=O)C2=C1C1=C2C(=O)C(=O)C3=C(CCC(C)(C)O)C(O)=CC=C3C2=C(O)C=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C40H38O12/c1-39(2,49)13-11-17-21(41)9-7-19-27(17)35(45)37(47)33-29(19)23(43)15-25(51-5)31(33)32-26(52-6)16-24(44)30-20-8-10-22(42)18(12-14-40(3,4)50)28(20)36(46)38(48)34(30)32/h7-10,15-16,41-44,49-50H,11-14H2,1-6H3

> <INCHI_KEY>
ZMEYPFZIVUKVGK-UHFFFAOYSA-N

> <FORMULA>
C40H38O12

> <MOLECULAR_WEIGHT>
710.732

> <EXACT_MASS>
710.236326664

$$$$

HEADER    PROTEIN                                 17-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-MAR-23         0                                  
HETATM    1  C   UNK     0       6.875   3.795   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       6.105   2.461   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.565   2.461   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.795   3.795   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.255   3.795   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.485   5.128   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.485   2.461   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.055   2.461   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.825   3.795   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.365   3.795   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.135   2.461   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -4.675   2.461   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -2.365   1.127   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.135  -0.206   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.675  -0.206   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.445  -1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.112  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.779  -0.770   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -6.215  -2.874   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -0.825   1.127   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.055  -0.206   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -0.825  -1.540   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       1.485  -0.206   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       1.324  -1.738   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       2.255   1.127   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.795   1.127   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.565  -0.206   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.105  -0.206   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.875   1.127   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       7.036   2.659   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       8.415   1.127   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       9.185   2.461   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       9.185  -0.206   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      10.725  -0.206   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      11.495   1.127   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      13.035   1.127   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      13.805   2.461   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      14.575   3.795   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      15.138   1.691   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      12.471   3.231   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      11.495  -1.540   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      13.035  -1.540   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      10.725  -2.874   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       9.185  -2.874   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       8.415  -1.540   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       6.875  -1.540   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       6.105  -2.874   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       6.875  -4.207   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       4.565  -2.874   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       3.795  -1.540   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0       2.255  -1.540   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0       1.485  -2.874   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   26                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   25                                                  
CONECT    8    7    9   20                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   20                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18   19                                             
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   16                                                            
CONECT   20   13    8   21                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23    7   26                                                  
CONECT   26   25    3   27                                                  
CONECT   27   26   28   50                                                  
CONECT   28   27   29   46                                                  
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   45                                                  
CONECT   34   33   35   41                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   39   40                                             
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   37                                                            
CONECT   41   34   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   33   46                                                  
CONECT   46   45   28   47                                                  
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50                                                       
CONECT   50   49   27   51                                                  
CONECT   51   50   52                                                       
CONECT   52   51                                                            
MASTER        0    0    0    0    0    0    0    0   52    0  114    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₃₈O₁₂

Average Mass

710.7320 Da

Monoisotopic Mass

710.23633 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC(O)=C2C3=CC=C(O)C(CCC(C)(C)O)=C3C(=O)C(=O)C2=C1C1=C2C(=O)C(=O)C3=C(CCC(C)(C)O)C(O)=CC=C3C2=C(O)C=C1OC

InChI Identifier

InChI=1S/C40H38O12/c1-39(2,49)13-11-17-21(41)9-7-19-27(17)35(45)37(47)33-29(19)23(43)15-25(51-5)31(33)32-26(52-6)16-24(44)30-20-8-10-22(42)18(12-14-40(3,4)50)28(20)36(46)38(48)34(30)32/h7-10,15-16,41-44,49-50H,11-14H2,1-6H3

InChI Key

ZMEYPFZIVUKVGK-UHFFFAOYSA-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, Methanol-d4, simulated)	[email protected]	Not Available	Not Available	2026-02-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125.0, Methanol-d4, simulated)	[email protected]	Not Available	Not Available	2026-02-16	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Paraleucobryum longifolium		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 Leucobryn A (NP0352939)

MOL for NP0352939 (Leucobryn A)

3D MOL for NP0352939 (Leucobryn A)

3D SDF for NP0352939 (Leucobryn A)

3D-SDF for NP0352939 (Leucobryn A)

PDB for NP0352939 (Leucobryn A)

3D PDB for NP0352939 (Leucobryn A)

SMILES for NP0352939 (Leucobryn A)

INCHI for NP0352939 (Leucobryn A)

Structure for NP0352939 (Leucobryn A)

3D Structure for NP0352939 (Leucobryn A)