NP-MRD: Showing NP-Card for Rhodimer (NP0352735)

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Record Information

Version

2.0

Created at

2026-02-15 04:55:02 UTC

Updated at

2026-02-15 08:01:41 UTC

NP-MRD ID

NP0352735

Natural Product DOI

https://doi.org/10.57994/7024

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Rhodimer

Description

Rhodimer was first documented in 2020 (PMID: 32790306).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03162302072D          

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M  END


  Mrv2104 03162302072D          

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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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M  END
> <DATABASE_ID>
NP0352735

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(OC)=C(CC=C(C)C)C2=C1[C@@H](C[C@H](O2)C1=CC=CC=C1)C1=C(O)C(CC=C(C)C)=C2O[C@@H](CC(=O)C2=C1O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C42H44O7/c1-24(2)17-19-28-34(46-5)23-35(47-6)36-30(21-32(48-41(28)36)26-13-9-7-10-14-26)37-39(44)29(20-18-25(3)4)42-38(40(37)45)31(43)22-33(49-42)27-15-11-8-12-16-27/h7-18,23,30,32-33,44-45H,19-22H2,1-6H3/t30-,32+,33+/m1/s1

> <INCHI_KEY>
LHMWSPKXZZITTJ-JXFVGPSASA-N

> <FORMULA>
C42H44O7

> <MOLECULAR_WEIGHT>
660.807

> <EXACT_MASS>
660.308703757

$$$$

HEADER    PROTEIN                                 16-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-MAR-23         0                                  
HETATM    1  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.000  -0.000   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -5.335  -0.000   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       0.707   0.637   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.667   1.540   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       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   15                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    8   15   19                                                  
CONECT   15   14    3   16                                                  
CONECT   16   15   17   26                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18   14                                                       
CONECT   20   18   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   20                                                       
CONECT   26   16   27   42                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   35                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   29   36   41                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   44                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   35   42                                                  
CONECT   42   41   26   43                                                  
CONECT   43   42                                                            
CONECT   44   37   45   49                                                  
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   44                                                       
MASTER        0    0    0    0    0    0    0    0   49    0  108    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₂H₄₄O₇

Average Mass

660.8070 Da

Monoisotopic Mass

660.30870 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC(OC)=C(CC=C(C)C)C2=C1[C@@H](C[C@H](O2)C1=CC=CC=C1)C1=C(O)C(CC=C(C)C)=C2O[C@@H](CC(=O)C2=C1O)C1=CC=CC=C1

InChI Identifier

InChI=1S/C42H44O7/c1-24(2)17-19-28-34(46-5)23-35(47-6)36-30(21-32(48-41(28)36)26-13-9-7-10-14-26)37-39(44)29(20-18-25(3)4)42-38(40(37)45)31(43)22-33(49-42)27-15-11-8-12-16-27/h7-18,23,30,32-33,44-45H,19-22H2,1-6H3/t30-,32+,33+/m1/s1

InChI Key

LHMWSPKXZZITTJ-JXFVGPSASA-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, 800.0, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200.0, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-15	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Tephrosia rhodesica		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 Rhodimer (NP0352735)

MOL for NP0352735 (Rhodimer)

3D MOL for NP0352735 (Rhodimer)

3D SDF for NP0352735 (Rhodimer)

3D-SDF for NP0352735 (Rhodimer)

PDB for NP0352735 (Rhodimer)

3D PDB for NP0352735 (Rhodimer)

SMILES for NP0352735 (Rhodimer)

INCHI for NP0352735 (Rhodimer)

Structure for NP0352735 (Rhodimer)

3D Structure for NP0352735 (Rhodimer)