NP-MRD: Showing NP-Card for Moricitrin B (NP0352534)

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Record Information

Version

2.0

Created at

2026-02-13 00:50:07 UTC

Updated at

2026-02-13 04:02:13 UTC

NP-MRD ID

NP0352534

Natural Product DOI

https://doi.org/10.57994/6603

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Moricitrin B

Description

Moricitrin B was first documented in 2020 (PMID: 32083868).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03132322032D          

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 31 50  1  0  0  0  0
M  END


  Mrv2104 03132322032D          

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M  END
> <DATABASE_ID>
NP0352534

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CO[C@@H](C3=CC=C4O[C@H]([C@H](CO)OC4=C3)C3=CC=C(O)C(O)=C3)[C@]1([H])CO[C@H]2C1=CC2=C(O[C@H]([C@H](CO)O2)C2=CC=C(O)C(O)=C2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C36H34O12/c37-13-31-35(17-1-5-23(39)25(41)9-17)47-27-7-3-19(11-29(27)45-31)33-21-15-44-34(22(21)16-43-33)20-4-8-28-30(12-20)46-32(14-38)36(48-28)18-2-6-24(40)26(42)10-18/h1-12,21-22,31-42H,13-16H2/t21-,22-,31+,32+,33+,34+,35+,36+/m1/s1

> <INCHI_KEY>
WYPMKMBPHURYGT-UJKBTJQPSA-N

> <FORMULA>
C36H34O12

> <MOLECULAR_WEIGHT>
658.656

> <EXACT_MASS>
658.205026535

$$$$

HEADER    PROTEIN                                 13-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-MAR-23         0                                  
HETATM    1  H   UNK     0      -1.322  -4.291   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0      -2.828  -4.612   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.058  -5.945   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -3.089  -7.090   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -4.496  -6.463   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.829  -7.233   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.829  -8.773   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -7.163  -9.543   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -8.497  -8.773   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -9.830  -9.543   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0     -11.164  -8.773   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -11.164  -7.233   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -12.498  -6.463   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0     -12.498  -4.923   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -9.830  -6.463   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -8.497  -7.233   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -7.163  -6.463   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -12.498  -9.543   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -12.498 -11.083   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -13.831 -11.853   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -15.165 -11.083   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0     -16.499 -11.853   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0     -15.165  -9.543   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0     -16.499  -8.773   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0     -13.831  -8.773   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.335  -4.932   0.000  0.00  0.00           C+0
HETATM   27  H   UNK     0      -5.841  -5.252   0.000  0.00  0.00           H+0
HETATM   28  C   UNK     0      -5.105  -3.598   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -4.074  -2.454   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       2.667  -0.000   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   26   30                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   26                                                  
CONECT    6    5    7   17                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   16                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   18                                                  
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12   16                                                       
CONECT   16   15    9   17                                                  
CONECT   17   16    6                                                       
CONECT   18   11   19   25                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   18                                                       
CONECT   26    5    2   27   28                                             
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29    2   31                                                  
CONECT   31   30   32   50                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   40                                                  
CONECT   34   33   35   49                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   41                                                  
CONECT   37   36   38   40                                                  
CONECT   38   37   39                                                       
CONECT   39   38                                                            
CONECT   40   37   33                                                       
CONECT   41   36   42   48                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   41                                                       
CONECT   49   34   50                                                       
CONECT   50   49   31                                                       
MASTER        0    0    0    0    0    0    0    0   50    0  114    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₃₄O₁₂

Average Mass

658.6560 Da

Monoisotopic Mass

658.20503 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]12CO[C@@H](C3=CC=C4O[C@H]([C@H](CO)OC4=C3)C3=CC=C(O)C(O)=C3)[C@]1([H])CO[C@H]2C1=CC2=C(O[C@H]([C@H](CO)O2)C2=CC=C(O)C(O)=C2)C=C1

InChI Identifier

InChI=1S/C36H34O12/c37-13-31-35(17-1-5-23(39)25(41)9-17)47-27-7-3-19(11-29(27)45-31)33-21-15-44-34(22(21)16-43-33)20-4-8-28-30(12-20)46-32(14-38)36(48-28)18-2-6-24(40)26(42)10-18/h1-12,21-22,31-42H,13-16H2/t21-,22-,31+,32+,33+,34+,35+,36+/m1/s1

InChI Key

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

Species

Species of Origin

Species Name	Source	Reference
Morinda citrifolia		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 Moricitrin B (NP0352534)

MOL for NP0352534 (Moricitrin B)

3D MOL for NP0352534 (Moricitrin B)

3D SDF for NP0352534 (Moricitrin B)

3D-SDF for NP0352534 (Moricitrin B)

PDB for NP0352534 (Moricitrin B)

3D PDB for NP0352534 (Moricitrin B)

SMILES for NP0352534 (Moricitrin B)

INCHI for NP0352534 (Moricitrin B)

Structure for NP0352534 (Moricitrin B)

3D Structure for NP0352534 (Moricitrin B)