NP-MRD: Showing NP-Card for 6alpha-O-acetyl-7-deacetylnimocinol (NP0029730)

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Record Information

Version

2.0

Created at

2021-06-19 21:16:45 UTC

Updated at

2021-06-29 23:57:17 UTC

NP-MRD ID

NP0029730

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6alpha-O-acetyl-7-deacetylnimocinol

Provided By

JEOL Database JEOL Logo

Description

6alpha-O-acetyl-7-deacetylnimocinol is found in Azadirachta indica. 6alpha-O-acetyl-7-deacetylnimocinol was first documented in 2000 (Siddiqui, B. S., et al.). Based on a literature review very few articles have been published on 1,2-Dehydromeldenin.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306192123163D          

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M  END

     RDKit          3D

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M  END


  Mrv1652306192123163D          

 69 73  0  0  0  0            999 V2000
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M  END
> <DATABASE_ID>
NP0029730

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]1([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]2([H])[C@@](C([H])=C([H])C(=O)C2(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]3(C(=C([H])C([H])([H])[C@@]3([H])C3=C([H])OC([H])=C3[H])[C@]12C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C28H36O5/c1-16(29)33-22-23-25(2,3)21(30)10-13-27(23,5)20-9-12-26(4)18(17-11-14-32-15-17)7-8-19(26)28(20,6)24(22)31/h8,10-11,13-15,18,20,22-24,31H,7,9,12H2,1-6H3/t18-,20+,22+,23-,24+,26-,27+,28-/m0/s1

> <INCHI_KEY>
GENUPFGLSDVCSZ-XMLHTYRRSA-N

> <FORMULA>
C28H36O5

> <MOLECULAR_WEIGHT>
452.591

> <EXACT_MASS>
452.256274259

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
50.64446779645583

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2R,7R,8R,9S,10R,14R,15S)-14-(furan-3-yl)-9-hydroxy-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-8-yl acetate

> <ALOGPS_LOGP>
5.22

> <JCHEM_LOGP>
4.407793464000001

> <ALOGPS_LOGS>
-4.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.652090621556823

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8021613596107784

> <JCHEM_POLAR_SURFACE_AREA>
76.74000000000001

> <JCHEM_REFRACTIVITY>
126.68999999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.18e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,7R,8R,9S,10R,14R,15S)-14-(furan-3-yl)-9-hydroxy-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-8-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 69 73  0  0  0  0  0  0  0  0999 V2000
   -4.0978    3.1720    1.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3593    1.8747    1.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3697    0.8895    0.7862 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0994    1.3098    0.4754 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7315    2.3882    1.4395 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1590    3.7994    1.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5087    2.1021    2.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2453    2.5320    1.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9338    3.3560    1.8099 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9997    0.0325    0.2264 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.3364   -0.8258   -0.9376 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.1453   -6.2450   -7.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0207   -0.1739   -0.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4677    0.4490   -2.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0
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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      -4.098   3.172   1.767  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.359   1.875   1.650  0.00  0.00           C+0
HETATM    3  O   UNK     0      -3.758   0.806   2.091  0.00  0.00           O+0
HETATM    4  O   UNK     0      -2.184   2.065   0.993  0.00  0.00           O+0
HETATM    5  C   UNK     0      -1.370   0.890   0.786  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.099   1.310   0.475  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.732   2.388   1.440  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.159   3.799   1.139  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.509   2.102   2.934  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.245   2.532   1.206  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.934   3.356   1.810  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.928   1.667   0.222  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.370   0.531  -0.213  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.000   0.033   0.226  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.257  -0.792   1.509  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.336  -0.826  -0.938  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.204  -2.013  -1.459  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.466  -3.065  -2.303  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.784  -2.527  -3.007  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.420  -1.516  -4.116  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.714  -1.912  -1.971  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.998  -2.194  -2.260  0.00  0.00           C+0
HETATM   23  C   UNK     0      -3.120  -3.086  -3.457  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.700  -3.673  -3.547  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.329  -4.258  -4.876  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.430  -5.344  -5.097  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.384  -5.550  -6.455  0.00  0.00           C+0
HETATM   28  O   UNK     0      -1.195  -4.670  -7.092  0.00  0.00           O+0
HETATM   29  C   UNK     0      -1.764  -3.895  -6.136  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.167  -1.219  -0.712  0.00  0.00           C+0
HETATM   31  C   UNK     0      -1.359  -2.247   0.432  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.977   0.072  -0.388  0.00  0.00           C+0
HETATM   33  O   UNK     0      -2.016   0.938  -1.542  0.00  0.00           O+0
HETATM   34  H   UNK     0      -5.061   2.998   2.254  0.00  0.00           H+0
HETATM   35  H   UNK     0      -4.283   3.584   0.771  0.00  0.00           H+0
HETATM   36  H   UNK     0      -3.519   3.874   2.373  0.00  0.00           H+0
HETATM   37  H   UNK     0      -1.386   0.306   1.711  0.00  0.00           H+0
HETATM   38  H   UNK     0       0.057   1.830  -0.496  0.00  0.00           H+0
HETATM   39  H   UNK     0      -0.873   3.918   1.474  0.00  0.00           H+0
HETATM   40  H   UNK     0       0.203   4.027   0.068  0.00  0.00           H+0
HETATM   41  H   UNK     0       0.731   4.584   1.650  0.00  0.00           H+0
HETATM   42  H   UNK     0      -0.553   2.010   3.181  0.00  0.00           H+0
HETATM   43  H   UNK     0       0.909   2.915   3.553  0.00  0.00           H+0
HETATM   44  H   UNK     0       1.016   1.195   3.267  0.00  0.00           H+0
HETATM   45  H   UNK     0       3.929   1.966  -0.067  0.00  0.00           H+0
HETATM   46  H   UNK     0       2.973  -0.090  -0.870  0.00  0.00           H+0
HETATM   47  H   UNK     0       0.395  -0.824   2.175  0.00  0.00           H+0
HETATM   48  H   UNK     0       2.079  -0.381   2.107  0.00  0.00           H+0
HETATM   49  H   UNK     0       1.540  -1.826   1.296  0.00  0.00           H+0
HETATM   50  H   UNK     0       0.323  -0.121  -1.781  0.00  0.00           H+0
HETATM   51  H   UNK     0       1.709  -2.536  -0.642  0.00  0.00           H+0
HETATM   52  H   UNK     0       2.004  -1.604  -2.088  0.00  0.00           H+0
HETATM   53  H   UNK     0       0.190  -3.896  -1.641  0.00  0.00           H+0
HETATM   54  H   UNK     0       1.164  -3.497  -3.031  0.00  0.00           H+0
HETATM   55  H   UNK     0       0.246  -1.970  -4.858  0.00  0.00           H+0
HETATM   56  H   UNK     0      -1.310  -1.153  -4.644  0.00  0.00           H+0
HETATM   57  H   UNK     0       0.098  -0.632  -3.741  0.00  0.00           H+0
HETATM   58  H   UNK     0      -3.855  -1.906  -1.665  0.00  0.00           H+0
HETATM   59  H   UNK     0      -3.858  -3.878  -3.293  0.00  0.00           H+0
HETATM   60  H   UNK     0      -3.420  -2.501  -4.332  0.00  0.00           H+0
HETATM   61  H   UNK     0      -1.667  -4.509  -2.826  0.00  0.00           H+0
HETATM   62  H   UNK     0       0.119  -5.906  -4.354  0.00  0.00           H+0
HETATM   63  H   UNK     0       0.145  -6.245  -7.092  0.00  0.00           H+0
HETATM   64  H   UNK     0      -2.442  -3.137  -6.505  0.00  0.00           H+0
HETATM   65  H   UNK     0      -1.228  -1.820   1.425  0.00  0.00           H+0
HETATM   66  H   UNK     0      -0.672  -3.094   0.347  0.00  0.00           H+0
HETATM   67  H   UNK     0      -2.376  -2.659   0.434  0.00  0.00           H+0
HETATM   68  H   UNK     0      -3.021  -0.174  -0.162  0.00  0.00           H+0
HETATM   69  H   UNK     0      -2.468   0.449  -2.253  0.00  0.00           H+0
CONECT    1    2   34   35   36                                             
CONECT    2    4    1    3                                                  
CONECT    3    2                                                            
CONECT    4    5    2                                                       
CONECT    5    6   32    4   37                                             
CONECT    6    5    7   14   38                                             
CONECT    7   10    6    8    9                                             
CONECT    8    7   39   40   41                                             
CONECT    9    7   42   43   44                                             
CONECT   10    7   12   11                                                  
CONECT   11   10                                                            
CONECT   12   10   13   45                                                  
CONECT   13   14   12   46                                                  
CONECT   14   13   16    6   15                                             
CONECT   15   14   47   48   49                                             
CONECT   16   30   50   17   14                                             
CONECT   17   16   18   51   52                                             
CONECT   18   19   17   53   54                                             
CONECT   19   24   20   18   21                                             
CONECT   20   19   55   56   57                                             
CONECT   21   22   30   19                                                  
CONECT   22   21   23   58                                                  
CONECT   23   24   22   59   60                                             
CONECT   24   23   19   25   61                                             
CONECT   25   24   29   26                                                  
CONECT   26   27   25   62                                                  
CONECT   27   28   26   63                                                  
CONECT   28   29   27                                                       
CONECT   29   25   28   64                                                  
CONECT   30   32   16   31   21                                             
CONECT   31   30   65   66   67                                             
CONECT   32    5   30   33   68                                             
CONECT   33   32   69                                                       
CONECT   34    1                                                            
CONECT   35    1                                                            
CONECT   36    1                                                            
CONECT   37    5                                                            
CONECT   38    6                                                            
CONECT   39    8                                                            
CONECT   40    8                                                            
CONECT   41    8                                                            
CONECT   42    9                                                            
CONECT   43    9                                                            
CONECT   44    9                                                            
CONECT   45   12                                                            
CONECT   46   13                                                            
CONECT   47   15                                                            
CONECT   48   15                                                            
CONECT   49   15                                                            
CONECT   50   16                                                            
CONECT   51   17                                                            
CONECT   52   17                                                            
CONECT   53   18                                                            
CONECT   54   18                                                            
CONECT   55   20                                                            
CONECT   56   20                                                            
CONECT   57   20                                                            
CONECT   58   22                                                            
CONECT   59   23                                                            
CONECT   60   23                                                            
CONECT   61   24                                                            
CONECT   62   26                                                            
CONECT   63   27                                                            
CONECT   64   29                                                            
CONECT   65   31                                                            
CONECT   66   31                                                            
CONECT   67   31                                                            
CONECT   68   32                                                            
CONECT   69   33                                                            
MASTER        0    0    0    0    0    0    0    0   69    0  146    0
END

RDKit          3D

69 73  0  0  0  0  0  0  0  0999 V2000
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  9 44  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₆O₅

Average Mass

452.5910 Da

Monoisotopic Mass

452.25627 Da

IUPAC Name

(1R,2R,7R,8R,9S,10R,14R,15S)-14-(furan-3-yl)-9-hydroxy-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-8-yl acetate

Traditional Name

(1R,2R,7R,8R,9S,10R,14R,15S)-14-(furan-3-yl)-9-hydroxy-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-8-yl acetate

CAS Registry Number

Not Available

SMILES

[H]O[C@]1([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]2([H])[C@@](C([H])=C([H])C(=O)C2(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]3(C(=C([H])C([H])([H])[C@@]3([H])C3=C([H])OC([H])=C3[H])[C@]12C([H])([H])[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C28H36O5/c1-16(29)33-22-23-25(2,3)21(30)10-13-27(23,5)20-9-12-26(4)18(17-11-14-32-15-17)7-8-19(26)28(20,6)24(22)31/h8,10-11,13-15,18,20,22-24,31H,7,9,12H2,1-6H3/t18-,20+,22+,23-,24+,26-,27+,28-/m0/s1

InChI Key

GENUPFGLSDVCSZ-XMLHTYRRSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CDCl₃, 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
Azadirachta indica	JEOL database	Siddiqui, B. S., et al, Phytochemistry 53, 371(2000)

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Limonoids

Alternative Parents

Substituents

Limonoid skeleton
17-furanylsteroid skeleton
Steroid ester
3-oxo-delta-1-steroid
3-oxosteroid
3-oxo-5-alpha-steroid
7-hydroxysteroid
Hydroxysteroid
Oxosteroid
Delta-1-steroid
Steroid
Cyclohexenone
Heteroaromatic compound
Cyclic alcohol
Furan
Carboxylic acid ester
Cyclic ketone
Secondary alcohol
Ketone
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Carbonyl group
Hydrocarbon derivative
Alcohol
Organooxygen compound
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	5.22	ALOGPS
logP	4.41	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	13.65	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	76.74 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	126.69 m³·mol⁻¹	ChemAxon
Polarizability	50.64 Å³	ChemAxon
Number of Rings	5	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

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

100980585

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Siddiqui, B. S., et al. (2000). Siddiqui, B. S., et al, Phytochemistry 53, 371(2000). Phytochem..

Showing NP-Card for 6alpha-O-acetyl-7-deacetylnimocinol (NP0029730)

MOL for NP0029730 (6alpha-O-acetyl-7-deacetylnimocinol)

3D MOL for NP0029730 (6alpha-O-acetyl-7-deacetylnimocinol)

3D SDF for NP0029730 (6alpha-O-acetyl-7-deacetylnimocinol)

3D-SDF for NP0029730 (6alpha-O-acetyl-7-deacetylnimocinol)

PDB for NP0029730 (6alpha-O-acetyl-7-deacetylnimocinol)

3D PDB for NP0029730 (6alpha-O-acetyl-7-deacetylnimocinol)

SMILES for NP0029730 (6alpha-O-acetyl-7-deacetylnimocinol)

INCHI for NP0029730 (6alpha-O-acetyl-7-deacetylnimocinol)

Structure for NP0029730 (6alpha-O-acetyl-7-deacetylnimocinol)

3D Structure for NP0029730 (6alpha-O-acetyl-7-deacetylnimocinol)