NP-MRD: Showing NP-Card for 5-epi-6-O-methylancistrobertsonine A. Ancistrotectoriline A (NP0025328)

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Record Information

Version

2.0

Created at

2021-06-19 17:28:44 UTC

Updated at

2021-06-29 23:50:13 UTC

NP-MRD ID

NP0025328

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-epi-6-O-methylancistrobertsonine A. Ancistrotectoriline A

Provided By

JEOL Database JEOL Logo

Description

(1S,3S)-1,2,3-Trimethyl-5-(4,5-dimethoxy-7-methyl-1-naphthyl)-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline belongs to the class of organic compounds known as naphthylisoquinolines. These are polycyclic aromatic compounds containing a naphthalene moiety linked to an isoquinoline through a CC or CN single bond. 5-epi-6-O-methylancistrobertsonine A. Ancistrotectoriline A is found in Ancistrocladus congolensis and Ancistrocladus robertsoniorum. 5-epi-6-O-methylancistrobertsonine A. Ancistrotectoriline A was first documented in 2008 (Bringmann, G., et al.). Based on a literature review very few articles have been published on (1S,3S)-1,2,3-Trimethyl-5-(4,5-dimethoxy-7-methyl-1-naphthyl)-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306192119283D          

 65 68  0  0  0  0            999 V2000
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M  END

     RDKit          3D

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652306192119283D          

 65 68  0  0  0  0            999 V2000
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  3  2  1  0  0  0  0
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M  END
> <DATABASE_ID>
NP0025328

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C1=C(OC([H])([H])[H])C2=C(C([H])=C(C([H])=C2OC([H])([H])[H])C([H])([H])[H])C(=C1[H])C1=C2C(=C(OC([H])([H])[H])C([H])=C1OC([H])([H])[H])[C@@]([H])(N(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C2([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C27H33NO4/c1-15-11-19-18(9-10-21(29-5)27(19)22(12-15)30-6)26-20-13-16(2)28(4)17(3)25(20)23(31-7)14-24(26)32-8/h9-12,14,16-17H,13H2,1-8H3/t16-,17-/m0/s1

> <INCHI_KEY>
GFQFSIXPKFVWIW-IRXDYDNUSA-N

> <FORMULA>
C27H33NO4

> <MOLECULAR_WEIGHT>
435.564

> <EXACT_MASS>
435.240958547

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
49.8307378443496

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,3S)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,2,3-trimethyl-1,2,3,4-tetrahydroisoquinoline

> <ALOGPS_LOGP>
5.35

> <JCHEM_LOGP>
5.307119584

> <ALOGPS_LOGS>
-5.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.16930373896465

> <JCHEM_POLAR_SURFACE_AREA>
40.160000000000004

> <JCHEM_REFRACTIVITY>
129.2283

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.36e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3S)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 65 68  0  0  0  0  0  0  0  0999 V2000
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   -5.6579   -0.9256   -0.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2159   -0.3896    1.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
  8 31  1  0
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  1 35  1  0
M  END

HEADER    PROTEIN                                 19-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUN-21         0                                  
HETATM    1  C   UNK     0       1.206  -2.022  -1.984  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.385  -0.857  -2.068  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.681  -0.939  -1.203  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.729  -1.811  -1.500  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.839  -1.886  -0.660  0.00  0.00           C+0
HETATM    6  O   UNK     0      -3.897  -2.736  -0.861  0.00  0.00           O+0
HETATM    7  C   UNK     0      -3.898  -3.527  -2.043  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.917  -1.056   0.482  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.862  -0.150   0.765  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.723  -0.092  -0.080  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.409   0.824   0.201  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.412   2.069  -0.450  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.439   2.975  -0.240  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.488   2.641   0.616  0.00  0.00           C+0
HETATM   15  O   UNK     0       3.459   3.602   0.787  0.00  0.00           O+0
HETATM   16  C   UNK     0       4.468   3.453  -0.215  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.525   1.410   1.326  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.544   1.034   2.248  0.00  0.00           C+0
HETATM   19  O   UNK     0       4.613   1.859   2.516  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.333   2.654   3.671  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.561  -0.214   2.879  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.531  -1.118   2.660  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.542  -2.469   3.310  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.508  -0.765   1.772  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.470   0.483   1.096  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.921   0.710   2.016  0.00  0.00           C+0
HETATM   27  C   UNK     0      -3.302   0.746   2.692  0.00  0.00           C+0
HETATM   28  C   UNK     0      -3.211   1.420   4.067  0.00  0.00           C+0
HETATM   29  N   UNK     0      -3.954  -0.577   2.748  0.00  0.00           N+0
HETATM   30  C   UNK     0      -3.260  -1.551   3.594  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.155  -1.116   1.378  0.00  0.00           C+0
HETATM   32  C   UNK     0      -5.348  -0.406   0.712  0.00  0.00           C+0
HETATM   33  H   UNK     0       2.157  -1.797  -2.476  0.00  0.00           H+0
HETATM   34  H   UNK     0       0.742  -2.861  -2.512  0.00  0.00           H+0
HETATM   35  H   UNK     0       1.420  -2.298  -0.946  0.00  0.00           H+0
HETATM   36  H   UNK     0      -1.653  -2.411  -2.399  0.00  0.00           H+0
HETATM   37  H   UNK     0      -4.824  -4.110  -2.053  0.00  0.00           H+0
HETATM   38  H   UNK     0      -3.061  -4.232  -2.045  0.00  0.00           H+0
HETATM   39  H   UNK     0      -3.892  -2.898  -2.939  0.00  0.00           H+0
HETATM   40  H   UNK     0      -0.396   2.329  -1.131  0.00  0.00           H+0
HETATM   41  H   UNK     0       1.427   3.938  -0.742  0.00  0.00           H+0
HETATM   42  H   UNK     0       4.868   2.434  -0.246  0.00  0.00           H+0
HETATM   43  H   UNK     0       4.081   3.737  -1.199  0.00  0.00           H+0
HETATM   44  H   UNK     0       5.289   4.131   0.036  0.00  0.00           H+0
HETATM   45  H   UNK     0       4.330   2.035   4.574  0.00  0.00           H+0
HETATM   46  H   UNK     0       5.133   3.393   3.769  0.00  0.00           H+0
HETATM   47  H   UNK     0       3.383   3.192   3.578  0.00  0.00           H+0
HETATM   48  H   UNK     0       4.386  -0.466   3.540  0.00  0.00           H+0
HETATM   49  H   UNK     0       3.083  -2.441   4.262  0.00  0.00           H+0
HETATM   50  H   UNK     0       1.523  -2.805   3.526  0.00  0.00           H+0
HETATM   51  H   UNK     0       3.025  -3.197   2.652  0.00  0.00           H+0
HETATM   52  H   UNK     0       0.716  -1.493   1.600  0.00  0.00           H+0
HETATM   53  H   UNK     0      -1.646   1.741   1.765  0.00  0.00           H+0
HETATM   54  H   UNK     0      -1.176   0.327   2.724  0.00  0.00           H+0
HETATM   55  H   UNK     0      -3.945   1.408   2.098  0.00  0.00           H+0
HETATM   56  H   UNK     0      -4.188   1.430   4.563  0.00  0.00           H+0
HETATM   57  H   UNK     0      -2.887   2.461   3.957  0.00  0.00           H+0
HETATM   58  H   UNK     0      -2.493   0.923   4.727  0.00  0.00           H+0
HETATM   59  H   UNK     0      -3.819  -2.494   3.626  0.00  0.00           H+0
HETATM   60  H   UNK     0      -3.209  -1.209   4.632  0.00  0.00           H+0
HETATM   61  H   UNK     0      -2.244  -1.776   3.254  0.00  0.00           H+0
HETATM   62  H   UNK     0      -4.452  -2.168   1.489  0.00  0.00           H+0
HETATM   63  H   UNK     0      -5.116   0.625   0.425  0.00  0.00           H+0
HETATM   64  H   UNK     0      -5.658  -0.926  -0.201  0.00  0.00           H+0
HETATM   65  H   UNK     0      -6.216  -0.390   1.381  0.00  0.00           H+0
CONECT    1    2   33   34   35                                             
CONECT    2    3    1                                                       
CONECT    3    4   10    2                                                  
CONECT    4    3    5   36                                                  
CONECT    5    6    4    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6   37   38   39                                             
CONECT    8   31    9    5                                                  
CONECT    9   10   26    8                                                  
CONECT   10    9    3   11                                                  
CONECT   11   10   12   25                                                  
CONECT   12   11   13   40                                                  
CONECT   13   12   14   41                                                  
CONECT   14   15   13   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15   42   43   44                                             
CONECT   17   25   18   14                                                  
CONECT   18   17   21   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   45   46   47                                             
CONECT   21   18   22   48                                                  
CONECT   22   21   24   23                                                  
CONECT   23   22   49   50   51                                             
CONECT   24   22   25   52                                                  
CONECT   25   17   24   11                                                  
CONECT   26   27    9   53   54                                             
CONECT   27   29   26   28   55                                             
CONECT   28   27   56   57   58                                             
CONECT   29   31   27   30                                                  
CONECT   30   29   59   60   61                                             
CONECT   31    8   29   32   62                                             
CONECT   32   31   63   64   65                                             
CONECT   33    1                                                            
CONECT   34    1                                                            
CONECT   35    1                                                            
CONECT   36    4                                                            
CONECT   37    7                                                            
CONECT   38    7                                                            
CONECT   39    7                                                            
CONECT   40   12                                                            
CONECT   41   13                                                            
CONECT   42   16                                                            
CONECT   43   16                                                            
CONECT   44   16                                                            
CONECT   45   20                                                            
CONECT   46   20                                                            
CONECT   47   20                                                            
CONECT   48   21                                                            
CONECT   49   23                                                            
CONECT   50   23                                                            
CONECT   51   23                                                            
CONECT   52   24                                                            
CONECT   53   26                                                            
CONECT   54   26                                                            
CONECT   55   27                                                            
CONECT   56   28                                                            
CONECT   57   28                                                            
CONECT   58   28                                                            
CONECT   59   30                                                            
CONECT   60   30                                                            
CONECT   61   30                                                            
CONECT   62   31                                                            
CONECT   63   32                                                            
CONECT   64   32                                                            
CONECT   65   32                                                            
MASTER        0    0    0    0    0    0    0    0   65    0  136    0
END

RDKit          3D

65 68  0  0  0  0  0  0  0  0999 V2000
    1.2061   -2.0217   -1.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4124    2.0688   -0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2114    1.4197    4.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1554   -1.1163    1.3784 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3478   -0.4059    0.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1569   -1.7969   -2.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0610   -4.2322   -2.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3958    2.3292   -1.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4273    3.9381   -0.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8679    2.4335   -0.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2887    4.1314    0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3296    2.0350    4.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1332    3.3929    3.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3830    3.1921    3.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3859   -0.4655    3.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0829   -2.4413    4.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5227   -2.8052    3.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0248   -3.1970    2.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7162   -1.4928    1.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6579   -0.9256   -0.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2159   -0.3896    1.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
  8 31  1  0
  3  4  2  0
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  1 34  1  0
  1 35  1  0
M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₃NO₄

Average Mass

435.5640 Da

Monoisotopic Mass

435.24096 Da

IUPAC Name

(1S,3S)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,2,3-trimethyl-1,2,3,4-tetrahydroisoquinoline

Traditional Name

(1S,3S)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline

CAS Registry Number

Not Available

SMILES

[H]C1=C(OC([H])([H])[H])C2=C(C([H])=C(C([H])=C2OC([H])([H])[H])C([H])([H])[H])C(=C1[H])C1=C2C(=C(OC([H])([H])[H])C([H])=C1OC([H])([H])[H])[C@@]([H])(N(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C2([H])[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C27H33NO4/c1-15-11-19-18(9-10-21(29-5)27(19)22(12-15)30-6)26-20-13-16(2)28(4)17(3)25(20)23(31-7)14-24(26)32-8/h9-12,14,16-17H,13H2,1-8H3/t16-,17-/m0/s1

InChI Key

GFQFSIXPKFVWIW-IRXDYDNUSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CD₃OD, 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
Ancistrocladus congolensis	JEOL database	Bringmann, G., et al, Phytochem. 69, 1065 (2008)
Ancistrocladus robertsoniorum	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthylisoquinolines. These are polycyclic aromatic compounds containing a naphthalene moiety linked to an isoquinoline through a CC or CN single bond.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Sub Class

Naphthylisoquinolines

Direct Parent

Naphthylisoquinolines

Alternative Parents

Substituents

Naphthylisoquinoline
Naphthalene
Tetrahydroisoquinoline
Anisole
Phenol ether
Alkyl aryl ether
Aralkylamine
Benzenoid
Tertiary amine
Tertiary aliphatic amine
Azacycle
Ether
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxygen compound
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	5.35	ALOGPS
logP	5.31	ChemAxon
logS	-5.5	ALOGPS
pKa (Strongest Basic)	8.17	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	40.16 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	129.23 m³·mol⁻¹	ChemAxon
Polarizability	49.83 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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

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

24814592

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Bringmann, G., et al. (2008). Bringmann, G., et al, Phytochem. 69, 1065 (2008). Phytochem..

Showing NP-Card for 5-epi-6-O-methylancistrobertsonine A. Ancistrotectoriline A (NP0025328)

MOL for NP0025328 (5-epi-6-O-methylancistrobertsonine A. Ancistrotectoriline A)

3D MOL for NP0025328 (5-epi-6-O-methylancistrobertsonine A. Ancistrotectoriline A)

3D SDF for NP0025328 (5-epi-6-O-methylancistrobertsonine A. Ancistrotectoriline A)

3D-SDF for NP0025328 (5-epi-6-O-methylancistrobertsonine A. Ancistrotectoriline A)

PDB for NP0025328 (5-epi-6-O-methylancistrobertsonine A. Ancistrotectoriline A)

3D PDB for NP0025328 (5-epi-6-O-methylancistrobertsonine A. Ancistrotectoriline A)

SMILES for NP0025328 (5-epi-6-O-methylancistrobertsonine A. Ancistrotectoriline A)

INCHI for NP0025328 (5-epi-6-O-methylancistrobertsonine A. Ancistrotectoriline A)

Structure for NP0025328 (5-epi-6-O-methylancistrobertsonine A. Ancistrotectoriline A)

3D Structure for NP0025328 (5-epi-6-O-methylancistrobertsonine A. Ancistrotectoriline A)