NP-MRD: Showing NP-Card for Hyellamide (NP0333068)

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Record Information

Version

2.0

Created at

2024-05-04 06:24:13 UTC

Updated at

2025-07-31 01:09:29 UTC

NP-MRD ID

NP0333068

Natural Product DOI

https://doi.org/10.57994/2367

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Hyellamide

Description

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

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01162309002D          

 43 44  0  0  1  0            999 V2000
    5.0013   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525   -5.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823   -6.4643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    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
   -2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  1  0  0  0
 17 11  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  6  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  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 20 26  1  0  0  0  0
 26 13  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
  9 29  1  0  0  0  0
 29 30  2  0  0  0  0
  6 30  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END


  Mrv2104 01162309002D          

 43 44  0  0  1  0            999 V2000
    5.0013   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525   -5.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823   -6.4643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    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
   -2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  1  0  0  0
 17 11  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  6  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  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 20 26  1  0  0  0  0
 26 13  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
  9 29  1  0  0  0  0
 29 30  2  0  0  0  0
  6 30  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0333068

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C1([H])O[C@@]([H])(OC2=CC=C(\C=C\NC(=O)CCCCCCCCCCCCC)C=C2)[C@]([H])(O)[C@@]([H])(OC(C)=O)[C@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C29H45NO7/c1-3-4-5-6-7-8-9-10-11-12-13-14-26(33)30-20-19-23-15-17-24(18-16-23)37-29-27(34)28(36-22(2)31)25(32)21-35-29/h15-20,25,27-29,32,34H,3-14,21H2,1-2H3,(H,30,33)/b20-19+/t25-,27-,28+,29+/m1/s1

> <INCHI_KEY>
MRWXZXNJLOYGIH-PMUDGRJESA-N

> <FORMULA>
C29H45NO7

> <MOLECULAR_WEIGHT>
519.679

> <EXACT_MASS>
519.319602793

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
61.00661830582746

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5R)-3,5-dihydroxy-2-{4-[(1E)-2-tetradecanamidoethenyl]phenoxy}oxan-4-yl acetate

> <JCHEM_LOGP>
5.391819204333331

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.367078510198638

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.276393769495455

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5413846264073165

> <JCHEM_POLAR_SURFACE_AREA>
114.32000000000001

> <JCHEM_REFRACTIVITY>
141.37550000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5R)-3,5-dihydroxy-2-{4-[(1E)-2-tetradecanamidoethenyl]phenoxy}oxan-4-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-JAN-23         0                                  
HETATM    1  O   UNK     0       9.336  -8.470   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       8.002  -6.160   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668  -8.470   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335 -10.780   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667 -10.780   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.334 -11.550   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.000 -10.780   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.334 -11.550   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -2.667 -10.780   0.000  0.00  0.00           C+0
HETATM   14  H   UNK     0      -4.205 -10.870   0.000  0.00  0.00           H+0
HETATM   15  H   UNK     0      -3.514 -12.067   0.000  0.00  0.00           H+0
HETATM   16  H   UNK     0       1.334 -10.010   0.000  0.00  0.00           H+0
HETATM   17  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       1.334  -8.470   0.000  0.00  0.00           O+0
HETATM   19  H   UNK     0      -1.334 -10.010   0.000  0.00  0.00           H+0
HETATM   20  C   UNK     0      -1.334  -8.470   0.000  0.00  0.00           C+0
HETATM   21  H   UNK     0       0.000  -7.700   0.000  0.00  0.00           H+0
HETATM   22  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -2.667  -6.160   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   27  H   UNK     0      -2.667  -7.700   0.000  0.00  0.00           H+0
HETATM   28  O   UNK     0      -4.001  -8.470   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.001  -8.470   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.669  -6.160   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.337  -6.160   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      16.004  -6.160   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      17.338  -6.930   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      18.672  -6.160   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      20.005  -6.930   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      21.339  -6.160   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      22.673  -6.930   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      24.006  -6.160   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      25.340  -6.930   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      26.674  -6.160   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   31                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   30                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   29                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   16   17                                             
CONECT   12   11   13                                                       
CONECT   13   12   14   15   26                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   11                                                            
CONECT   17   11   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17   21   22   26                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   20   13   27   28                                             
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29    9   30                                                       
CONECT   30   29    6                                                       
CONECT   31    2   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₄₅NO₇

Average Mass

519.6790 Da

Monoisotopic Mass

519.31960 Da

IUPAC Name

(2S,3R,4S,5R)-3,5-dihydroxy-2-{4-[(1E)-2-tetradecanamidoethenyl]phenoxy}oxan-4-yl acetate

Traditional Name

(2S,3R,4S,5R)-3,5-dihydroxy-2-{4-[(1E)-2-tetradecanamidoethenyl]phenoxy}oxan-4-yl acetate

CAS Registry Number

Not Available

SMILES

[H]C1([H])O[C@@]([H])(OC2=CC=C(\C=C\NC(=O)CCCCCCCCCCCCC)C=C2)[C@]([H])(O)[C@@]([H])(OC(C)=O)[C@]1([H])O

InChI Identifier

InChI=1S/C29H45NO7/c1-3-4-5-6-7-8-9-10-11-12-13-14-26(33)30-20-19-23-15-17-24(18-16-23)37-29-27(34)28(36-22(2)31)25(32)21-35-29/h15-20,25,27-29,32,34H,3-14,21H2,1-2H3,(H,30,33)/b20-19+/t25-,27-,28+,29+/m1/s1

InChI Key

MRWXZXNJLOYGIH-PMUDGRJESA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	sfreitas@ciimar.up.pt	Not Available	Not Available	2024-05-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	sfreitas@ciimar.up.pt	Not Available	Not Available	2024-05-04	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	sfreitas@ciimar.up.pt	Not Available	Not Available	2024-05-04	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	sfreitas@ciimar.up.pt	Not Available	Not Available	2024-05-04	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	sfreitas@ciimar.up.pt	Not Available	Not Available	2024-05-04	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	sfreitas@ciimar.up.pt	Not Available	Not Available	2024-05-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600, CDCl₃, simulated)	sfreitas@ciimar.up.pt	Not Available	Not Available	2024-05-04	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Hyella patelloides		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	5.39	ChemAxon
pKa (Strongest Acidic)	12.28	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	114.32 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	141.38 m³·mol⁻¹	ChemAxon
Polarizability	61.01 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	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 Hyellamide (NP0333068)

MOL for NP0333068 (Hyellamide)

3D MOL for NP0333068 (Hyellamide)

3D SDF for NP0333068 (Hyellamide)

3D-SDF for NP0333068 (Hyellamide)

PDB for NP0333068 (Hyellamide)

3D PDB for NP0333068 (Hyellamide)

SMILES for NP0333068 (Hyellamide)

INCHI for NP0333068 (Hyellamide)

Structure for NP0333068 (Hyellamide)

3D Structure for NP0333068 (Hyellamide)