NP-MRD: Showing NP-Card for Makomotine C (NP0044093)

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Record Information

Version

1.0

Created at

2021-11-12 23:49:37 UTC

Updated at

2021-11-26 17:45:21 UTC

NP-MRD ID

NP0044093

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Makomotine C

Description

Makomotine C belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Makomotine C is found in Ustilago esculenta. It was first documented in 2014 (PMID: 25419997). Based on a literature review a significant number of articles have been published on Makomotine C (PMID: 34758537) (PMID: 34758467) (PMID: 34758459) (PMID: 34758456).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 55 55  0  0  0  0  0  0  0  0999 V2000
    2.1516    3.1746    0.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4805    2.2640   -0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2691    1.8098   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5268    0.9378   -0.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2558    0.4399   -1.9521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7871    0.6082   -0.3419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6774   -0.2430   -1.0490 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8003    0.4497   -1.3933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9703   -0.2361   -1.1984 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1679    0.4005   -1.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4075    1.6669   -1.3694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1371   -0.4274    0.2941 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3810   -0.8880    0.6519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0611   -1.4124    0.7072 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6621   -1.1710    2.0226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8944   -1.4524   -0.1957 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9932   -2.5651   -1.0301 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.9276   -1.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5218    1.2632   -1.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6307   -0.0434   -0.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2786   -0.0788    0.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4271   -1.4624    1.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8421   -1.9712    1.2374 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7532   -0.9887    1.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9331   -3.1702    1.9612 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2513    3.1189    0.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8553    4.2225    0.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8900    2.8953    1.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1331    2.1681    0.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1632   -0.5321   -1.9926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8377   -1.2647   -1.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0937    0.3116   -2.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0584   -0.2278   -1.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5929    1.9982   -0.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8720    0.5356    0.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8291   -0.1464    1.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5629   -2.4229    0.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9666   -0.2970    2.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9761   -1.6408    0.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3683   -3.3472   -0.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6101    1.3886   -2.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4531    2.9523   -2.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660    1.9831   -0.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    1.1157   -2.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -0.7521   -1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359   -0.5276   -0.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    0.2518    0.9806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9708    0.5790    1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2025   -1.3258    2.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828   -2.1636    0.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2057   -2.0851    0.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7176   -1.5481    2.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2659   -0.8066    2.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8981   -0.0715    1.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6871   -3.1939    2.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
 24 23  1  0
 23 25  1  0
 23 22  1  0
 22 21  1  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18  2  1  0
  2  1  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16  7  1  0
 24 52  1  0
 24 53  1  0
 24 54  1  0
 23 51  1  6
 25 55  1  0
 22 49  1  0
 22 50  1  0
 21 47  1  0
 21 48  1  0
 20 45  1  0
 20 46  1  0
 19 43  1  0
 19 44  1  0
 18 41  1  0
 18 42  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  3 29  1  0
  7 30  1  6
  9 31  1  6
 10 32  1  0
 10 33  1  0
 11 34  1  0
 12 35  1  1
 13 36  1  0
 14 37  1  1
 15 38  1  0
 16 39  1  1
 17 40  1  0
M  END


  Mrv1652311132100492D          

 25 25  0  0  1  0            999 V2000
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0044093

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(O)CCCCC\C(C)=C/C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C17H30O8/c1-10(6-4-3-5-7-11(2)19)8-13(20)25-17-16(23)15(22)14(21)12(9-18)24-17/h8,11-12,14-19,21-23H,3-7,9H2,1-2H3/b10-8-/t11?,12-,14-,15+,16-,17+/m1/s1

> <INCHI_KEY>
JYRHXVRNJRAAQM-NSRGPWSASA-N

> <FORMULA>
C17H30O8

> <MOLECULAR_WEIGHT>
362.419

> <EXACT_MASS>
362.194067926

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
37.59452783596624

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2Z)-9-hydroxy-3-methyldec-2-enoate

> <ALOGPS_LOGP>
0.08

> <JCHEM_LOGP>
0.3309485319999993

> <ALOGPS_LOGS>
-1.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.194442556624569

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.19573285640952

> <JCHEM_PKA_STRONGEST_BASIC>
-1.6244917462524722

> <JCHEM_POLAR_SURFACE_AREA>
136.68

> <JCHEM_REFRACTIVITY>
89.03059999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.55e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2Z)-9-hydroxy-3-methyldec-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 13-NOV-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-NOV-21         0                                  
HETATM    1  C   UNK     0      -8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -6.668  -6.930   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.000  -0.000   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   24                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   15   25                                                  
CONECT   25   24                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₃₀O₈

Average Mass

362.4190 Da

Monoisotopic Mass

362.19407 Da

IUPAC Name

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2Z)-9-hydroxy-3-methyldec-2-enoate

Traditional Name

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2Z)-9-hydroxy-3-methyldec-2-enoate

CAS Registry Number

Not Available

SMILES

CC(O)CCCCC\C(C)=C/C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C17H30O8/c1-10(6-4-3-5-7-11(2)19)8-13(20)25-17-16(23)15(22)14(21)12(9-18)24-17/h8,11-12,14-19,21-23H,3-7,9H2,1-2H3/b10-8-/t11?,12-,14-,15+,16-,17+/m1/s1

InChI Key

JYRHXVRNJRAAQM-NSRGPWSASA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Ustilago esculenta	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Fatty acyl glycosides of mono- and disaccharides

Alternative Parents

Substituents

Fatty acyl glycoside of mono- or disaccharide
Hexose monosaccharide
Alkyl glycoside
Fatty alcohol
Fatty acid ester
Oxane
Monosaccharide
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Secondary alcohol
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	0.08	ALOGPS
logP	0.33	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	12.2	ChemAxon
pKa (Strongest Basic)	-1.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	136.68 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	89.03 m³·mol⁻¹	ChemAxon
Polarizability	37.59 Å³	ChemAxon
Number of Rings	1	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

78436592

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

102367925

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Hu ZX, Xue YB, Bi XB, Zhang JW, Luo ZW, Li XN, Yao GM, Wang JP, Zhang YH: Five new secondary metabolites produced by a marine-associated fungus, Daldinia eschscholzii. Mar Drugs. 2014 Nov 20;12(11):5563-75. doi: 10.3390/md12115563. [PubMed:25419997 ]
Xi WW, Cao L, Huo HL, Wang CC, Wu J, Zhang JJ: [Clinical analysis of two brothers with Imerslund-Grasbeck syndrome]. Zhonghua Yi Xue Za Zhi. 2021 Nov 2;101(40):3351-3354. doi: 10.3760/cma.j.cn112137-20210709-01537. [PubMed:34758537 ]
Allen DB, Merchant N, Miller BS, Backeljauw PF: Evolution and future of growth plate therapeutics. Horm Res Paediatr. 2021 Nov 10. pii: 000520812. doi: 10.1159/000520812. [PubMed:34758467 ]
Adams JD, Badolato M, Pierce E, Cantrell A, Parker Z, Farzam D: Short-Term Stability of Urine Electrolytes: Effect of Time and Storage Conditions. Int J Sport Nutr Exerc Metab. 2021 Nov 10:1-3. doi: 10.1123/ijsnem.2021-0172. [PubMed:34758459 ]
Gottlieb M, Eys M, Hardy J, Benson AJ: Valued Insight or Act of Insubordination? How Context Shapes Coaches' Perceptions of Challenge-Oriented Followership. J Sport Exerc Psychol. 2021 Nov 10:1-9. doi: 10.1123/jsep.2021-0122. [PubMed:34758456 ]

Showing NP-Card for Makomotine C (NP0044093)

MOL for NP0044093 (Makomotine C)

3D MOL for NP0044093 (Makomotine C)

3D SDF for NP0044093 (Makomotine C)

3D-SDF for NP0044093 (Makomotine C)

PDB for NP0044093 (Makomotine C)

3D PDB for NP0044093 (Makomotine C)

SMILES for NP0044093 (Makomotine C)

INCHI for NP0044093 (Makomotine C)

Structure for NP0044093 (Makomotine C)

3D Structure for NP0044093 (Makomotine C)