Np mrd loader

Showing NP-Card for Daphniphylline (NP0333817)

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Record Information
Version2.0
Created at2024-09-09 20:40:40 UTC
Updated at2024-09-09 20:40:41 UTC
NP-MRD IDNP0333817
Secondary Accession NumbersNone
Natural Product Identification
Common NameDaphniphylline
DescriptionIsolated from the bract of Hibiscus sabdariffa (roselle) [DFC] One of the main alkaloids from Daphniphyllum macropodum and Daphniphyllum teijsmanniand is also isolated from the bark of Daphniphyllum gracile and from the dried calyx and bract of Hibiscus sabdariffa (Daphniphyllaceae, Malvaceae) [CCD]. Daphniphylline is found in herbs and spices.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0333817 (Daphniphylline)


  Mrv2104 05242323122D          

 44 50  0  0  1  0            999 V2000
    4.6349    0.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900    1.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7995   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586   -3.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676   -1.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5922   -6.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4303   -0.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241   -1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7973    1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3799   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7904   -5.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0589   -0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960   -1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -5.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2725    0.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1847   -1.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7410    0.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -4.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8311    0.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4382   -3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3039    0.0949    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2684   -0.2064    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7229   -2.4702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9856   -0.9785    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9098   -4.3112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4159   -0.1511    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0842   -3.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6224   -3.8956    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9867   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766   -5.6646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8299   -0.1888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8235   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7585    0.3763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3847   -3.0378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9071   -3.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383   -4.9809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -2.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 32  1  0  0  0  0
 30 36  1  0  0  0  0
 30 38  1  0  0  0  0
 31 33  1  1  0  0  0
M  END
Download

3D MOL for NP0333817 (Daphniphylline)

Download
3D SDF for NP0333817 (Daphniphylline)

  Mrv2104 05242323122D          

 44 50  0  0  1  0            999 V2000
    4.6349    0.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900    1.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7995   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586   -3.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676   -1.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5922   -6.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4303   -0.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241   -1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7973    1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3799   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7904   -5.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0589   -0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960   -1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -5.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2725    0.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1847   -1.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7410    0.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -4.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8311    0.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4382   -3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3039    0.0949    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2684   -0.2064    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7229   -2.4702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9856   -0.9785    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9098   -4.3112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4159   -0.1511    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0842   -3.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6224   -3.8956    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9867   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766   -5.6646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8299   -0.1888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8235   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7585    0.3763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3847   -3.0378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9071   -3.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383   -4.9809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -2.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3740   -5.1462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2037   -0.7240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0545   -0.4566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5459   -2.5282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0433   -1.8014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0855   -4.3457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146    0.6179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
 28  4  1  6  0  0  0
  5 29  1  0  0  0  0
 30  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
 24  8  1  0  0  0  0
  9 15  1  0  0  0  0
 21  9  1  0  0  0  0
 10 13  1  0  0  0  0
 22 10  1  0  0  0  0
 11 14  1  0  0  0  0
 25 11  1  0  0  0  0
 31 12  1  0  0  0  0
 13 29  1  0  0  0  0
 30 14  1  0  0  0  0
 31 15  1  0  0  0  0
 23 16  1  0  0  0  0
 16 32  1  0  0  0  0
 21 17  1  0  0  0  0
 17 33  1  0  0  0  0
 28 18  1  0  0  0  0
 18 36  1  0  0  0  0
 22 19  1  1  0  0  0
 20 34  2  0  0  0  0
 20 37  1  0  0  0  0
 21 39  1  1  0  0  0
 21 29  1  0  0  0  0
 22 40  1  6  0  0  0
 22 26  1  0  0  0  0
 23 41  1  6  0  0  0
 23 27  1  0  0  0  0
 23 37  1  0  0  0  0
 24 42  1  1  0  0  0
 24 31  1  0  0  0  0
 24 32  1  0  0  0  0
 25 43  1  6  0  0  0
 25 28  1  0  0  0  0
 25 38  1  0  0  0  0
 26 44  1  6  0  0  0
 26 32  1  0  0  0  0
 26 33  1  0  0  0  0
 28 27  1  1  0  0  0
 27 35  2  0  0  0  0
 29 32  1  0  0  0  0
 30 36  1  0  0  0  0
 30 38  1  0  0  0  0
 31 33  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0333817

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@](CC12[C@]3([H])CCC[C@]33CC[C@]4([H])CN3[C@@]1([H])[C@]([H])(CCC24C)C(C)C)(OC(C)=O)C(=O)[C@@]1(C)CO[C@]2(C)CC[C@]1([H])O2

> <INCHI_IDENTIFIER>
InChI=1S/C32H49NO5/c1-19(2)22-10-13-29(5)21-9-15-31-12-7-8-24(31)32(29,26(22)33(31)17-21)16-23(37-20(3)34)27(35)28(4)18-36-30(6)14-11-25(28)38-30/h19,21-26H,7-18H2,1-6H3/t21-,22-,23+,24-,25+,26+,28+,29?,30+,31+,32?/m1/s1

> <INCHI_KEY>
LFLWRPZTBUUBEQ-NZOOTUQVSA-N

> <FORMULA>
C32H49NO5

> <MOLECULAR_WEIGHT>
527.746

> <EXACT_MASS>
527.361073682

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
34.40382056357906

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-1-[(1S,4S,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(3S,7S,10S,13S,14R)-1-methyl-14-(propan-2-yl)-12-azapentacyclo[8.6.0.0^{2,13}.0^{3,7}.0^{7,12}]hexadecan-2-yl]-1-oxopropan-2-yl acetate

> <JCHEM_LOGP>
5.201202998999999

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.609441745231372

> <JCHEM_PKA_STRONGEST_BASIC>
12.345458017272037

> <JCHEM_POLAR_SURFACE_AREA>
65.07000000000001

> <JCHEM_REFRACTIVITY>
144.82489999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-1-[(1S,4S,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(3S,7S,10S,13S,14R)-14-isopropyl-1-methyl-12-azapentacyclo[8.6.0.0^{2,13}.0^{3,7}.0^{7,12}]hexadecan-2-yl]-1-oxopropan-2-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0333817 (Daphniphylline)
Download
PDB for NP0333817 (Daphniphylline)
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  C   UNK     0       8.652   0.394   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.701   2.214   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.492  -7.163   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.976  -6.147   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.553  -2.109   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.839 -11.904   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.803  -1.681   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.418  -2.635   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.488   1.878   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.309  -1.925   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.475  -9.571   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.110  -0.340   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.846  -2.567   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.528 -10.696   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.509   0.838   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.078  -3.335   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.250   1.825   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.465  -7.828   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.151   0.741   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.818  -5.779   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.434   0.177   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.101  -0.385   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.216  -4.611   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.840  -1.826   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.698  -8.048   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.510  -0.282   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.890  -5.996   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.029  -7.272   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.709  -1.091   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.063 -10.574   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.549  -0.352   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.404  -1.950   0.000  0.00  0.00           C+0
HETATM   33  N   UNK     0       3.283   0.702   0.000  0.00  0.00           N+0
HETATM   34  O   UNK     0      -0.718  -5.671   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       5.427  -6.104   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       4.925  -9.298   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       1.680  -4.503   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       2.565  -9.606   0.000  0.00  0.00           O+0
HETATM   39  H   UNK     0       2.247  -1.351   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0       7.568  -0.852   0.000  0.00  0.00           H+0
HETATM   41  H   UNK     0       4.752  -4.719   0.000  0.00  0.00           H+0
HETATM   42  H   UNK     0       1.948  -3.363   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0       0.160  -8.112   0.000  0.00  0.00           H+0
HETATM   44  H   UNK     0       5.067   1.153   0.000  0.00  0.00           H+0
CONECT    1   19                                                            
CONECT    2   19                                                            
CONECT    3   20                                                            
CONECT    4   28                                                            
CONECT    5   29                                                            
CONECT    6   30                                                            
CONECT    7    8   12                                                       
CONECT    8    7   24                                                       
CONECT    9   15   21                                                       
CONECT   10   13   22                                                       
CONECT   11   14   25                                                       
CONECT   12    7   31                                                       
CONECT   13   10   29                                                       
CONECT   14   11   30                                                       
CONECT   15    9   31                                                       
CONECT   16   23   32                                                       
CONECT   17   21   33                                                       
CONECT   18   28   36                                                       
CONECT   19    1    2   22                                                  
CONECT   20    3   34   37                                                  
CONECT   21    9   17   39   29                                             
CONECT   22   10   19   40   26                                             
CONECT   23   16   41   27   37                                             
CONECT   24    8   42   31   32                                             
CONECT   25   11   43   28   38                                             
CONECT   26   22   44   32   33                                             
CONECT   27   23   28   35                                                  
CONECT   28    4   18   25   27                                             
CONECT   29    5   13   21   32                                             
CONECT   30    6   14   36   38                                             
CONECT   31   12   15   24   33                                             
CONECT   32   16   24   26   29                                             
CONECT   33   17   26   31                                                  
CONECT   34   20                                                            
CONECT   35   27                                                            
CONECT   36   18   30                                                       
CONECT   37   20   23                                                       
CONECT   38   25   30                                                       
CONECT   39   21                                                            
CONECT   40   22                                                            
CONECT   41   23                                                            
CONECT   42   24                                                            
CONECT   43   25                                                            
CONECT   44   26                                                            
MASTER        0    0    0    0    0    0    0    0   44    0  100    0
END

Download
3D PDB for NP0333817 (Daphniphylline)
Download
SMILES for NP0333817 (Daphniphylline)
[H][C@@](CC12[C@]3([H])CCC[C@]33CC[C@]4([H])CN3[C@@]1([H])[C@]([H])(CCC24C)C(C)C)(OC(C)=O)C(=O)[C@@]1(C)CO[C@]2(C)CC[C@]1([H])O2
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INCHI for NP0333817 (Daphniphylline)
InChI=1S/C32H49NO5/c1-19(2)22-10-13-29(5)21-9-15-31-12-7-8-24(31)32(29,26(22)33(31)17-21)16-23(37-20(3)34)27(35)28(4)18-36-30(6)14-11-25(28)38-30/h19,21-26H,7-18H2,1-6H3/t21-,22-,23+,24-,25+,26+,28+,29?,30+,31+,32?/m1/s1
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View in JSmol
SynonymsNot Available
Chemical FormulaC32H49NO5
Average Mass527.7460 Da
Monoisotopic Mass527.36107 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@@](CC12[C@]3([H])CCC[C@]33CC[C@]4([H])CN3[C@@]1([H])[C@]([H])(CCC24C)C(C)C)(OC(C)=O)C(=O)[C@@]1(C)CO[C@]2(C)CC[C@]1([H])O2
InChI Identifier
InChI=1S/C32H49NO5/c1-19(2)22-10-13-29(5)21-9-15-31-12-7-8-24(31)32(29,26(22)33(31)17-21)16-23(37-20(3)34)27(35)28(4)18-36-30(6)14-11-25(28)38-30/h19,21-26H,7-18H2,1-6H3/t21-,22-,23+,24-,25+,26+,28+,29?,30+,31+,32?/m1/s1
InChI KeyLFLWRPZTBUUBEQ-NZOOTUQVSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as daphniphylline-type alkaloids. These are alkaloids (or derivatives thereof) from the genus Daphniphyllum, possessing 22 carbon polycyclic fused ring systems with or without the C8 side chain. The C8 unit consists of 6-oxabicyclo[3.2.1]Octane or 2,8-dioxabicyclo[3.2.1]Octane.
KingdomOrganic compounds  
Super ClassAlkaloids and derivatives  
ClassDaphniphylline-type alkaloids  
Sub ClassNot Available
Direct ParentDaphniphylline-type alkaloids  
Alternative Parents
Substituents
  • Daphniphylline-type alkaloid
    • 

  • Diterpenoid
    • 

  • Azaspirodecane
    • 

  • Indolizidine
    • 

  • Indole or derivatives
    • 

  • Ketal
    • 

  • Alpha-acyloxy ketone
    • 

  • Oxepane
    • 

  • Azepane
    • 

  • N-alkylpyrrolidine
    • 

  • Piperidine
    • 

  • Monosaccharide
    • 

  • Meta-dioxane
    • 

  • Tetrahydrofuran
    • 

  • Pyrrolidine
    • 

  • Tertiary aliphatic amine
    • 

  • Tertiary amine
    • 

  • Ketone
    • 

  • Carboxylic acid ester
    • 

  • Amino acid or derivatives
    • 

  • Oxacycle
    • 

  • Azacycle
    • 

  • Organoheterocyclic compound
    • 

  • Monocarboxylic acid or derivatives
    • 

  • Carboxylic acid derivative
    • 

  • Organic nitrogen compound
    • 

  • Organic oxygen compound
    • 

  • Organopnictogen compound
    • 

  • Organic oxide
    • 

  • Hydrocarbon derivative
    • 

  • Organooxygen compound
    • 

  • Organonitrogen compound
    • 

  • Amine
    • 

  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Dutta M, Hazra A, Bhattacharya E, Bose R, Mandal Biswas S: Characterization and metabolomic profiling of two pigment producing fungi from infected fruits of Indian Gooseberry. Arch Microbiol. 2023 Mar 25;205(4):141. doi: 10.1007/s00203-023-03483-2. [PubMed:36964798  ] 
  2. Guo LD, Chen Y, Xu J: Total Synthesis of Daphniphyllum Alkaloids: From Bicycles to Diversified Caged Structures. Acc Chem Res. 2020 Nov 17;53(11):2726-2737. doi: 10.1021/acs.accounts.0c00532. Epub 2020 Oct 14. [PubMed:33074659  ] 
  3. Kobayashi J, Kubota T: The Daphniphyllum alkaloids. Nat Prod Rep. 2009 Jul;26(7):936-62. doi: 10.1039/b813006j. Epub 2009 May 8. [PubMed:19554242  ] 
  4. Yang SP, Zhang H, Zhang CR, Cheng HD, Yue JM: Alkaloids from Daphniphyllum longeracemosum. J Nat Prod. 2006 Jan;69(1):79-82. doi: 10.1021/np0503449. [PubMed:16441073  ]