NP-MRD: Showing NP-Card for Rhodomollein LVIII (NP0350709)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2025-02-05 04:45:18 UTC

Updated at

2025-03-20 22:35:19 UTC

NP-MRD ID

NP0350709

Natural Product DOI

https://doi.org/10.57994/3689

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Rhodomollein LVIII

Description

Based on a literature review very few articles have been published on Rhodomollein LVIII.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05052304532D          

 38 42  0  0  1  0            999 V2000
    2.0058   -1.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8114   -0.2207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4469    0.3060    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6051   -0.5037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2335    0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9039   -0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9512   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7132    0.7286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5381    0.7351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2230    1.3921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4717    2.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2773    2.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5260    3.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9692    3.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2179    4.5386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0235    4.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5803    4.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3316    3.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8341    1.7479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4404    1.1310    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6981    0.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868    1.6548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4376    2.1619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4440    2.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575    1.4908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2674    2.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5864    0.6866    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0328    1.0451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3260    1.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7287    1.3192    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5209    1.5492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4019    2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4527    2.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0945    0.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8762    0.4737    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3303   -0.2151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7003    0.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083   -0.0441    0.0000 C   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  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  5  1  0  0  0  0
  8  9  1  6  0  0  0
 10  8  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 12 19  2  0  0  0  0
 20 10  1  0  0  0  0
 20  3  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  6  0  0  0
 22 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 25 33  1  0  0  0  0
 27 34  1  6  0  0  0
 35 34  1  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  6  0  0  0
 27 38  1  0  0  0  0
  2 38  1  0  0  0  0
M  END


  Mrv2104 05052304532D          

 38 42  0  0  1  0            999 V2000
    2.0058   -1.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8114   -0.2207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4469    0.3060    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6051   -0.5037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2335    0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9039   -0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9512   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7132    0.7286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5381    0.7351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2230    1.3921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4717    2.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2773    2.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5260    3.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9692    3.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2179    4.5386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0235    4.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5803    4.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3316    3.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8341    1.7479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4404    1.1310    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6981    0.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868    1.6548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4376    2.1619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4440    2.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575    1.4908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2674    2.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5864    0.6866    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0328    1.0451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3260    1.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7287    1.3192    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5209    1.5492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4019    2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4527    2.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0945    0.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8762    0.4737    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3303   -0.2151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7003    0.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083   -0.0441    0.0000 C   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  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  5  1  0  0  0  0
  8  9  1  6  0  0  0
 10  8  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 12 19  2  0  0  0  0
 20 10  1  0  0  0  0
 20  3  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  6  0  0  0
 22 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 25 33  1  0  0  0  0
 27 34  1  6  0  0  0
 35 34  1  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  6  0  0  0
 27 38  1  0  0  0  0
  2 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0350709

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12CC[C@]3([H])[C@@](C[C@@]1(C)O)(C[C@@H](O)[C@@]1(O)[C@@]([H])([C@@H](OC(=O)C4=CN=CC=C4)[C@H](O)C1(C)C)[C@]3(C)O)[C@@H]2O

> <INCHI_IDENTIFIER>
InChI=1S/C26H37NO8/c1-22(2)20(30)17(35-21(31)13-6-5-9-27-11-13)18-24(4,33)15-8-7-14-19(29)25(15,12-23(14,3)32)10-16(28)26(18,22)34/h5-6,9,11,14-20,28-30,32-34H,7-8,10,12H2,1-4H3/t14-,15+,16-,17-,18+,19-,20+,23-,24-,25+,26-/m1/s1

> <INCHI_KEY>
SZWADKQQVHMUMU-JCKGQANRSA-N

> <FORMULA>
C26H37NO8

> <MOLECULAR_WEIGHT>
491.581

> <EXACT_MASS>
491.251917155

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
51.397773231767566

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,3R,4R,6R,7R,8S,9R,10R,13R,14R,16R)-3,4,6,9,14,16-hexahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecan-7-yl pyridine-3-carboxylate

> <JCHEM_LOGP>
-0.7506138536666673

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.609190750784734

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.89187721000471

> <JCHEM_PKA_STRONGEST_BASIC>
3.2399691008676377

> <JCHEM_POLAR_SURFACE_AREA>
160.57

> <JCHEM_REFRACTIVITY>
123.61839999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3R,4R,6R,7R,8S,9R,10R,13R,14R,16R)-3,4,6,9,14,16-hexahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecan-7-yl pyridine-3-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-MAY-23         0                                  
HETATM    1  O   UNK     0       3.744  -1.909   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       3.381  -0.412   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.568   0.571   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       4.863  -0.940   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.036   0.107   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.421  -1.305   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.376  -0.652   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.931   1.360   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       8.471   1.372   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.016   2.599   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.480   4.067   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       7.984   4.399   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.449   5.867   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.409   7.004   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       7.873   8.472   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       9.377   8.804   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.417   7.668   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.952   6.200   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       9.024   3.263   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.555   2.111   0.000  0.00  0.00           C+0
HETATM   21  H   UNK     0       3.170   1.439   0.000  0.00  0.00           H+0
HETATM   22  C   UNK     0       3.335   3.089   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.550   4.035   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.695   4.490   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.787   2.783   0.000  0.00  0.00           C+0
HETATM   26  H   UNK     0       2.366   4.210   0.000  0.00  0.00           H+0
HETATM   27  C   UNK     0       1.095   1.282   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.061   1.951   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       0.609   3.337   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -1.360   2.462   0.000  0.00  0.00           C+0
HETATM   31  H   UNK     0      -2.839   2.892   0.000  0.00  0.00           H+0
HETATM   32  C   UNK     0      -0.750   3.936   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.845   4.144   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.176   0.169   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.635   0.884   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -2.483  -0.401   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -3.174   0.954   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       1.882  -0.082   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   38                                                  
CONECT    3    2    4    5   20                                             
CONECT    4    3                                                            
CONECT    5    3    6    7    8                                             
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    5    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   20                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   19                                                  
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   13                                                       
CONECT   19   12                                                            
CONECT   20   10    3   21   22                                             
CONECT   21   20                                                            
CONECT   22   20   23   24   25                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   22   26   27   33                                             
CONECT   26   25                                                            
CONECT   27   25   28   34   38                                             
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32   35                                             
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   25                                                       
CONECT   34   27   35                                                       
CONECT   35   34   30   36   37                                             
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38   27    2                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₃₇NO₈

Average Mass

491.5810 Da

Monoisotopic Mass

491.25192 Da

IUPAC Name

(1S,3R,4R,6R,7R,8S,9R,10R,13R,14R,16R)-3,4,6,9,14,16-hexahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecan-7-yl pyridine-3-carboxylate

Traditional Name

(1S,3R,4R,6R,7R,8S,9R,10R,13R,14R,16R)-3,4,6,9,14,16-hexahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecan-7-yl pyridine-3-carboxylate

CAS Registry Number

Not Available

SMILES

[H][C@]12CC[C@]3([H])[C@@](C[C@@]1(C)O)(C[C@@H](O)[C@@]1(O)[C@@]([H])([C@@H](OC(=O)C4=CN=CC=C4)[C@H](O)C1(C)C)[C@]3(C)O)[C@@H]2O

InChI Identifier

InChI=1S/C26H37NO8/c1-22(2)20(30)17(35-21(31)13-6-5-9-27-11-13)18-24(4,33)15-8-7-14-19(29)25(15,12-23(14,3)32)10-16(28)26(18,22)34/h5-6,9,11,14-20,28-30,32-34H,7-8,10,12H2,1-4H3/t14-,15+,16-,17-,18+,19-,20+,23-,24-,25+,26-/m1/s1

InChI Key

SZWADKQQVHMUMU-JCKGQANRSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HSQC NMR	[¹³C, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)	songyang@imm.ac.cn	institute of materia medica Chinese Academy of Medical Science & Peking Union Medical College	Song Yang	2025-02-05	View Spectrum
HMBC NMR	[¹³C, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)	songyang@imm.ac.cn	institute of materia medica Chinese Academy of Medical Science & Peking Union Medical College	Song Yang	2025-02-05	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)	songyang@imm.ac.cn	institute of materia medica Chinese Academy of Medical Science & Peking Union Medical College	Song Yang	2025-02-05	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)	songyang@imm.ac.cn	institute of materia medica Chinese Academy of Medical Science & Peking Union Medical College	Song Yang	2025-02-05	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)	songyang@imm.ac.cn	institute of materia medica Chinese Academy of Medical Science & Peking Union Medical College	Song Yang	2025-02-05	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)	songyang@imm.ac.cn	institute of materia medica Chinese Academy of Medical Science & Peking Union Medical College	Song Yang	2025-02-05	View Spectrum
DEPT NMR	¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)	songyang@imm.ac.cn	institute of materia medica Chinese Academy of Medical Science & Peking Union Medical College	Song Yang	2025-02-05	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Rhododendron L. Rhododendron molle (Blume) G.Don		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
logP	-0.75	ChemAxon
pKa (Strongest Acidic)	12.89	ChemAxon
pKa (Strongest Basic)	3.24	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	160.57 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	123.62 m³·mol⁻¹	ChemAxon
Polarizability	51.4 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

Showing NP-Card for Rhodomollein LVIII (NP0350709)

MOL for NP0350709 (Rhodomollein LVIII)

3D MOL for NP0350709 (Rhodomollein LVIII)

3D SDF for NP0350709 (Rhodomollein LVIII)

3D-SDF for NP0350709 (Rhodomollein LVIII)

PDB for NP0350709 (Rhodomollein LVIII)

3D PDB for NP0350709 (Rhodomollein LVIII)

SMILES for NP0350709 (Rhodomollein LVIII)

INCHI for NP0350709 (Rhodomollein LVIII)

Structure for NP0350709 (Rhodomollein LVIII)

3D Structure for NP0350709 (Rhodomollein LVIII)