NP-MRD: Showing NP-Card for Bipolarolide L (NP0333795)

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Record Information

Version

2.0

Created at

2024-09-09 11:05:05 UTC

Updated at

2026-02-04 19:02:20 UTC

NP-MRD ID

NP0333795

Natural Product DOI

https://doi.org/10.57994/3273

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Bipolarolide L

Description

Bipolarolide L belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. Bipolarolide L was first documented in 2025 (PMID: 39883606). Based on a literature review very few articles have been published on Bipolarolide L.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05242313372D          

 39 42  0  0  1  0            999 V2000
   -5.7947   -0.6232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9956   -1.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3737   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9257   -2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8825   -3.5803    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1379   -3.2251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2694   -4.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4456   -4.0892    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0331   -4.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2261   -4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1399   -3.8116    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1830   -2.9878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4254   -3.3991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4254   -2.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7109   -3.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9965   -3.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2820   -3.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4325   -3.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4325   -2.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1470   -3.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8614   -3.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759   -3.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759   -4.6366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2904   -3.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8392   -4.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8935   -3.4761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6712   -3.2007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9367   -2.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5498   -2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7226   -2.5429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.1719   -3.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6527   -3.8760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2300   -4.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4476   -4.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5195   -2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7658   -1.7191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4577   -1.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4145   -0.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1064    0.0035    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  1  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  8 25  1  1  0  0  0
 26  8  1  0  0  0  0
 11 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
  3 29  1  0  0  0  0
 30  4  1  0  0  0  0
 30 31  1  0  0  0  0
 32 31  1  0  0  0  0
  5 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  6  0  0  0
 30 35  1  6  0  0  0
 30 36  1  0  0  0  0
  2 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
M  END


  Mrv2104 05242313372D          

 39 42  0  0  1  0            999 V2000
   -5.7947   -0.6232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9956   -1.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3737   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9257   -2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8825   -3.5803    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1379   -3.2251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2694   -4.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4456   -4.0892    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0331   -4.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2261   -4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1399   -3.8116    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1830   -2.9878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4254   -3.3991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4254   -2.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7109   -3.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9965   -3.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2820   -3.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4325   -3.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4325   -2.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1470   -3.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8614   -3.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759   -3.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759   -4.6366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2904   -3.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8392   -4.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8935   -3.4761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6712   -3.2007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9367   -2.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5498   -2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7226   -2.5429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.1719   -3.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6527   -3.8760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2300   -4.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4476   -4.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5195   -2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7658   -1.7191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4577   -1.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4145   -0.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1064    0.0035    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  1  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  8 25  1  1  0  0  0
 26  8  1  0  0  0  0
 11 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
  3 29  1  0  0  0  0
 30  4  1  0  0  0  0
 30 31  1  0  0  0  0
 32 31  1  0  0  0  0
  5 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  6  0  0  0
 30 35  1  6  0  0  0
 30 36  1  0  0  0  0
  2 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
M  END
> <DATABASE_ID>
NP0333795

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C(=O)OCC(C)CCC[C@H](C)[C@@]1([H])CC[C@]2(C)C[C@@]3([H])C4=C(CC[C@@]12[H])C(=O)N(CCO)[C@]4([H])C[C@@]3(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C28H45NO5/c1-18(16-34-17-31)6-5-7-19(2)20-10-11-27(3)14-23-25-21(8-9-22(20)27)26(32)29(12-13-30)24(25)15-28(23,4)33/h17-20,22-24,30,33H,5-16H2,1-4H3/t18?,19-,20+,22-,23-,24+,27+,28+/m0/s1

> <INCHI_KEY>
VTOYFTIKIHVSAP-WJUDKWKGSA-N

> <FORMULA>
C28H45NO5

> <MOLECULAR_WEIGHT>
475.67

> <EXACT_MASS>
475.329773553

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
56.192474272643224

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6S)-6-[(1S,3R,6R,7S,13R,15R)-15-hydroxy-12-(2-hydroxyethyl)-3,15-dimethyl-11-oxo-12-azatetracyclo[8.5.1.0^{3,7}.0^{13,16}]hexadec-10(16)-en-6-yl]-2-methylheptyl formate

> <JCHEM_LOGP>
3.2505265416666647

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.951848660122764

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.154157946344

> <JCHEM_PKA_STRONGEST_BASIC>
0.2917401694680895

> <JCHEM_POLAR_SURFACE_AREA>
87.07000000000001

> <JCHEM_REFRACTIVITY>
132.437

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(6S)-6-[(1S,3R,6R,7S,13R,15R)-15-hydroxy-12-(2-hydroxyethyl)-3,15-dimethyl-11-oxo-12-azatetracyclo[8.5.1.0^{3,7}.0^{13,16}]hexadec-10(16)-en-6-yl]-2-methylheptyl formate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-MAY-23         0                                  
HETATM    1  O   UNK     0     -10.817  -1.163   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0     -11.192  -2.657   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -10.031  -4.001   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -11.061  -5.145   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.981  -6.683   0.000  0.00  0.00           C+0
HETATM    6  H   UNK     0      -9.591  -6.020   0.000  0.00  0.00           H+0
HETATM    7  C   UNK     0      -9.836  -7.714   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -8.298  -7.633   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -7.528  -8.967   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.022  -8.647   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.861  -7.115   0.000  0.00  0.00           C+0
HETATM   12  H   UNK     0      -5.942  -5.577   0.000  0.00  0.00           H+0
HETATM   13  C   UNK     0      -4.527  -6.345   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.527  -4.805   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.194  -7.115   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.860  -6.345   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.526  -7.115   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.807  -6.345   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.807  -4.805   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.141  -7.115   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       3.475  -6.345   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       4.808  -7.115   0.000  0.00  0.00           C+0
HETATM   23  H   UNK     0       4.808  -8.655   0.000  0.00  0.00           H+0
HETATM   24  O   UNK     0       6.142  -6.345   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -9.033  -8.987   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -7.268  -6.489   0.000  0.00  0.00           C+0
HETATM   27  H   UNK     0      -8.720  -5.975   0.000  0.00  0.00           H+0
HETATM   28  C   UNK     0      -7.349  -4.951   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -8.493  -3.920   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -12.549  -4.747   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -13.388  -6.038   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -12.418  -7.235   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0     -13.496  -8.335   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0     -12.035  -8.727   0.000  0.00  0.00           O+0
HETATM   35  H   UNK     0     -14.036  -4.348   0.000  0.00  0.00           H+0
HETATM   36  N   UNK     0     -12.629  -3.209   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0     -13.921  -2.370   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0     -13.840  -0.832   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0     -15.132   0.006   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   36                                                  
CONECT    3    2    4   29                                                  
CONECT    4    3    5   30                                                  
CONECT    5    4    6    7   32                                             
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   25   26                                             
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13   26                                             
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25    8                                                            
CONECT   26    8   11   27   28                                             
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28    3                                                       
CONECT   30    4   31   35   36                                             
CONECT   31   30   32                                                       
CONECT   32   31    5   33   34                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   30                                                            
CONECT   36   30    2   37                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₄₅NO₅

Average Mass

475.6700 Da

Monoisotopic Mass

475.32977 Da

IUPAC Name

(6S)-6-[(1S,3R,6R,7S,13R,15R)-15-hydroxy-12-(2-hydroxyethyl)-3,15-dimethyl-11-oxo-12-azatetracyclo[8.5.1.0^{3,7}.0^{13,16}]hexadec-10(16)-en-6-yl]-2-methylheptyl formate

Traditional Name

(6S)-6-[(1S,3R,6R,7S,13R,15R)-15-hydroxy-12-(2-hydroxyethyl)-3,15-dimethyl-11-oxo-12-azatetracyclo[8.5.1.0^{3,7}.0^{13,16}]hexadec-10(16)-en-6-yl]-2-methylheptyl formate

CAS Registry Number

Not Available

SMILES

[H]C(=O)OCC(C)CCC[C@H](C)[C@@]1([H])CC[C@]2(C)C[C@@]3([H])C4=C(CC[C@@]12[H])C(=O)N(CCO)[C@]4([H])C[C@@]3(C)O

InChI Identifier

InChI=1S/C28H45NO5/c1-18(16-34-17-31)6-5-7-19(2)20-10-11-27(3)14-23-25-21(8-9-22(20)27)26(32)29(12-13-30)24(25)15-28(23,4)33/h17-20,22-24,30,33H,5-16H2,1-4H3/t18?,19-,20+,22-,23-,24+,27+,28+/m0/s1

InChI Key

VTOYFTIKIHVSAP-WJUDKWKGSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
ROESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	[email protected]	UiT-The Arctic University of Norway	Sailesh Maharjan	2024-09-09	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	[email protected]	UiT-The Arctic University of Norway	Sailesh Maharjan	2024-09-09	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	[email protected]	UiT-The Arctic University of Norway	Sailesh Maharjan	2024-09-09	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	[email protected]	UiT-The Arctic University of Norway	Sailesh Maharjan	2024-09-09	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)	[email protected]	UiT-The Arctic University of Norway	Sailesh Maharjan	2024-09-09	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D2O, experimental)	[email protected]	UiT-The Arctic University of Norway	Sailesh Maharjan	2024-09-09	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Uzbekistanica storfjordensis		Not Available
Uzbekistanica storfjordensis		Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesterterpenoids

Direct Parent

Sesterterpenoids

Alternative Parents

Substituents

Sesterterpenoid
N-acyl-amine
Tertiary carboxylic acid amide
Tertiary alcohol
Pyrroline
Cyclic alcohol
Lactam
Carboxylic acid ester
Carboxamide group
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Alkanolamine
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	3.25	ChemAxon
pKa (Strongest Acidic)	13.15	ChemAxon
pKa (Strongest Basic)	0.29	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	87.07 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	132.44 m³·mol⁻¹	ChemAxon
Polarizability	56.19 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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 Bipolarolide L (NP0333795)

MOL for NP0333795 (Bipolarolide L)

3D MOL for NP0333795 (Bipolarolide L)

3D SDF for NP0333795 (Bipolarolide L)

3D-SDF for NP0333795 (Bipolarolide L)

PDB for NP0333795 (Bipolarolide L)

3D PDB for NP0333795 (Bipolarolide L)

SMILES for NP0333795 (Bipolarolide L)

INCHI for NP0333795 (Bipolarolide L)

Structure for NP0333795 (Bipolarolide L)

3D Structure for NP0333795 (Bipolarolide L)