NP-MRD: Showing NP-Card for Rubescin N (NP0332506)

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Record Information

Version

2.0

Created at

2024-02-15 20:02:25 UTC

Updated at

2024-09-03 04:19:26 UTC

NP-MRD ID

NP0332506

Natural Product DOI

https://doi.org/10.57994/1759

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Rubescin N

Description

Rubescin N belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17. Rubescin N was first documented in 2024 (PMID: 38338394). Based on a literature review very few articles have been published on Rubescin N.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 02152420022D          

 34 42  0  0  1  0            999 V2000
    0.9158   -3.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220   -2.4868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4464   -1.6929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7607   -1.2342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7288   -0.4098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -1.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3976   -2.5187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0611   -3.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2240   -3.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4242   -4.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1099   -4.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8855   -3.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2461   -1.4903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6708   -0.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4705   -0.6964    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6766   -0.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2702   -0.4938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8456   -1.0851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6212   -1.8790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9063   -2.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8214   -2.0816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5971   -2.8755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3968   -2.6729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973   -3.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458   -1.2877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.8824    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3787   -0.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4678    0.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548    0.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2206   -1.4737    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9962   -2.2676    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7960   -2.0650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1965   -2.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9721   -3.2641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
  3 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  1  0  0  0
 21 19  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 21 23  1  1  0  0  0
 22 24  1  0  0  0  0
  2 24  1  0  0  0  0
 18 25  1  6  0  0  0
 18 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 17 29  1  6  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 30 32  1  1  0  0  0
 31 33  1  0  0  0  0
 19 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END


  Mrv2104 02152420022D          

 34 42  0  0  1  0            999 V2000
    0.9158   -3.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220   -2.4868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4464   -1.6929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7607   -1.2342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7288   -0.4098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -1.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3976   -2.5187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0611   -3.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2240   -3.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4242   -4.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1099   -4.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8855   -3.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2461   -1.4903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6708   -0.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4705   -0.6964    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6766   -0.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2702   -0.4938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8456   -1.0851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6212   -1.8790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9063   -2.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8214   -2.0816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5971   -2.8755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3968   -2.6729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973   -3.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458   -1.2877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.8824    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3787   -0.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4678    0.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548    0.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2206   -1.4737    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9962   -2.2676    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7960   -2.0650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1965   -2.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9721   -3.2641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
  3 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  1  0  0  0
 21 19  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 21 23  1  1  0  0  0
 22 24  1  0  0  0  0
  2 24  1  0  0  0  0
 18 25  1  6  0  0  0
 18 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 17 29  1  6  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 30 32  1  1  0  0  0
 31 33  1  0  0  0  0
 19 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0332506

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12[C@H]3OC[C@]1(C)[C@H]1O[C@H]1C(=O)[C@]2(C)[C@]12O[C@H]1C[C@@]1(C)[C@@H](C[C@@H](O)[C@]11O[C@H]3[C@]21C)C1=COC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C26H30O7/c1-21-10-30-15-17(21)23(3,18(28)16-19(21)31-16)26-14(32-26)8-22(2)12(11-5-6-29-9-11)7-13(27)25(22)24(26,4)20(15)33-25/h5-6,9,12-17,19-20,27H,7-8,10H2,1-4H3/t12-,13+,14-,15+,16-,17-,19-,20+,21-,22-,23+,24-,25-,26+/m0/s1

> <INCHI_KEY>
PXLYFRWQMKZODI-NCPKCMHWSA-N

> <FORMULA>
C26H30O7

> <MOLECULAR_WEIGHT>
454.519

> <EXACT_MASS>
454.199153306

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
46.28129459869792

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2S,4R,6R,7R,10R,11S,13S,14R,16S,17S,19S,21S,22S)-16-(furan-3-yl)-14-hydroxy-2,7,17,21-tetramethyl-5,9,12,20-tetraoxaoctacyclo[9.9.1.1^{2,7}.0^{1,19}.0^{4,6}.0^{13,17}.0^{13,21}.0^{10,22}]docosan-3-one

> <JCHEM_LOGP>
1.7938132863333323

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.927249029138213

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7420424584662317

> <JCHEM_POLAR_SURFACE_AREA>
93.96000000000001

> <JCHEM_REFRACTIVITY>
111.5004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,4R,6R,7R,10R,11S,13S,14R,16S,17S,19S,21S,22S)-16-(furan-3-yl)-14-hydroxy-2,7,17,21-tetramethyl-5,9,12,20-tetraoxaoctacyclo[9.9.1.1^{2,7}.0^{1,19}.0^{4,6}.0^{13,17}.0^{13,21}.0^{10,22}]docosan-3-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-FEB-24   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-FEB-24         0                                  
HETATM    1  C   UNK     0       1.710  -6.072   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.281  -4.642   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.700  -3.160   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.420  -2.304   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       1.360  -0.765   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.210  -3.257   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.742  -4.702   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.114  -5.982   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.418  -7.427   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -0.792  -8.379   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -2.072  -7.523   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.653  -6.041   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.193  -2.782   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.119  -1.678   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.612  -1.300   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.130  -0.881   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.104  -0.922   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.178  -2.025   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.760  -3.507   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.292  -4.953   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.267  -3.886   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.848  -5.368   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       6.341  -4.989   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       3.355  -5.746   0.000  0.00  0.00           C+0
HETATM   25  H   UNK     0       5.686  -2.404   0.000  0.00  0.00           H+0
HETATM   26  C   UNK     0       8.671  -1.647   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.040  -0.942   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.340   0.179   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.822   0.441   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       9.745  -2.751   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.326  -4.233   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      10.819  -3.855   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       7.834  -4.611   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       7.415  -6.093   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7   24                                             
CONECT    3    2    4   13   16                                             
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    2    8                                                  
CONECT    8    7    9   12                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    8                                                       
CONECT   13    3   14   15   21                                             
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15    3                                                       
CONECT   17   15   18   29                                                  
CONECT   18   17   19   25   26                                             
CONECT   19   18   20   21   33                                             
CONECT   20   19                                                            
CONECT   21   19   13   22   23                                             
CONECT   22   21   23   24                                                  
CONECT   23   22   21                                                       
CONECT   24   22    2                                                       
CONECT   25   18                                                            
CONECT   26   18   27   28   30                                             
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   17                                                       
CONECT   30   26   31   32                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31   30                                                       
CONECT   33   31   19   34                                                  
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₃₀O₇

Average Mass

454.5190 Da

Monoisotopic Mass

454.19915 Da

IUPAC Name

(1S,2S,4R,6R,7R,10R,11S,13S,14R,16S,17S,19S,21S,22S)-16-(furan-3-yl)-14-hydroxy-2,7,17,21-tetramethyl-5,9,12,20-tetraoxaoctacyclo[9.9.1.1^{2,7}.0^{1,19}.0^{4,6}.0^{13,17}.0^{13,21}.0^{10,22}]docosan-3-one

Traditional Name

CAS Registry Number

Not Available

SMILES

[H][C@]12[C@H]3OC[C@]1(C)[C@H]1O[C@H]1C(=O)[C@]2(C)[C@]12O[C@H]1C[C@@]1(C)[C@@H](C[C@@H](O)[C@]11O[C@H]3[C@]21C)C1=COC=C1

InChI Identifier

InChI=1S/C26H30O7/c1-21-10-30-15-17(21)23(3,18(28)16-19(21)31-16)26-14(32-26)8-22(2)12(11-5-6-29-9-11)7-13(27)25(22)24(26,4)20(15)33-25/h5-6,9,12-17,19-20,27H,7-8,10H2,1-4H3/t12-,13+,14-,15+,16-,17-,19-,20+,21-,22-,23+,24-,25-,26+/m0/s1

InChI Key

PXLYFRWQMKZODI-NCPKCMHWSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)	[email protected]	Not Available	Not Available	2024-02-15	View Spectrum
HMQC NMR	[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)	[email protected]	Not Available	Not Available	2024-02-15	View Spectrum
HMBC NMR	[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)	[email protected]	Not Available	Not Available	2024-02-15	View Spectrum
1D NMR	Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)	[email protected]	Not Available	Not Available	2024-02-15	View Spectrum
NOESY NMR	[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)	[email protected]	Not Available	Not Available	2024-02-15	View Spectrum
COSY NMR	[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)	[email protected]	Not Available	Not Available	2024-02-15	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Limonoids

Alternative Parents

Substituents

Limonoid skeleton
Steroid
Naphthofuran
Oxepane
Monosaccharide
Heteroaromatic compound
Tetrahydrofuran
Furan
Cyclic alcohol
Secondary alcohol
Oxetane
Ketone
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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
logP	1.79	ChemAxon
pKa (Strongest Acidic)	13.93	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	93.96 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	111.5 m³·mol⁻¹	ChemAxon
Polarizability	46.28 Å³	ChemAxon
Number of Rings	9	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Amuti S, Saito Y, Fukuyoshi S, Miyake K, Newman DJ, O'Keefe BR, Lee KH, Nakagawa-Goto K: Unusual Vilasinin-Class Limonoids from Trichilia rubescens. Molecules. 2024 Jan 30;29(3):651. doi: 10.3390/molecules29030651. [PubMed:38338394 ]
DOI: 10.3390/molecules29030651

Showing NP-Card for Rubescin N (NP0332506)

MOL for NP0332506 (Rubescin N)

3D MOL for NP0332506 (Rubescin N)

3D SDF for NP0332506 (Rubescin N)

3D-SDF for NP0332506 (Rubescin N)

PDB for NP0332506 (Rubescin N)

3D PDB for NP0332506 (Rubescin N)

SMILES for NP0332506 (Rubescin N)

INCHI for NP0332506 (Rubescin N)

Structure for NP0332506 (Rubescin N)

3D Structure for NP0332506 (Rubescin N)