NP-MRD: Showing NP-Card for Chamelauciumol F (NP0350829)

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Record Information

Version

2.0

Created at

2025-03-12 16:08:07 UTC

Updated at

2025-09-09 01:02:12 UTC

NP-MRD ID

NP0350829

Natural Product DOI

https://doi.org/10.57994/3814

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Chamelauciumol F

Description

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

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 06092316142D          

 39 44  0  0  1  0            999 V2000
    0.8867   -1.9484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6672   -2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8260   -3.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6065   -3.2926    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7653   -4.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5458   -4.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7045   -5.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828   -5.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3023   -5.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435   -4.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2890   -1.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0695   -1.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2282   -2.7503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6912   -1.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5102   -1.4976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1628   -2.2459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1145   -2.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8354   -1.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6767   -0.8485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8577   -0.7494    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2534   -0.1877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2051   -0.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7308    0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0268    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5433   -2.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8377   -1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3534   -2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5303   -2.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8094   -3.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3296   -3.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2692   -3.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1015   -2.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3806   -3.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2381   -3.3305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5325   -0.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7520   -0.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5932    0.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1302   -0.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3497   -0.5966    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
  4  3  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  4 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  1  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 18 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 17 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 34  2  0  0  0  0
 14 35  2  0  0  0  0
 21 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 11 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END


  Mrv2104 06092316142D          

 39 44  0  0  1  0            999 V2000
    0.8867   -1.9484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6672   -2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8260   -3.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6065   -3.2926    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7653   -4.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5458   -4.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7045   -5.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828   -5.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3023   -5.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435   -4.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2890   -1.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0695   -1.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2282   -2.7503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6912   -1.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5102   -1.4976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1628   -2.2459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1145   -2.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8354   -1.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6767   -0.8485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8577   -0.7494    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2534   -0.1877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2051   -0.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7308    0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0268    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5433   -2.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8377   -1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3534   -2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5303   -2.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8094   -3.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3296   -3.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2692   -3.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1015   -2.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3806   -3.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2381   -3.3305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5325   -0.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7520   -0.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5932    0.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1302   -0.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3497   -0.5966    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
  4  3  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  4 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  1  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 18 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 17 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 34  2  0  0  0  0
 14 35  2  0  0  0  0
 21 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 11 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0350829

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12C3=C(O[C@@]1(OC1=C2C(=O)C(C)(C)C(=O)C1(C)C)C(C)C)C(C)=C(O)C1=C3O[C@@H](CC1=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C31H32O7/c1-14(2)31-22(21-26(34)29(4,5)28(35)30(6,7)27(21)38-31)20-24(37-31)15(3)23(33)19-17(32)13-18(36-25(19)20)16-11-9-8-10-12-16/h8-12,14,18,22,33H,13H2,1-7H3/t18-,22-,31+/m0/s1

> <INCHI_KEY>
QHPOXZBIENSEMH-RYFGPTKPSA-N

> <FORMULA>
C31H32O7

> <MOLECULAR_WEIGHT>
516.59

> <EXACT_MASS>
516.21480337

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
55.32089605633769

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,10R,18S)-14-hydroxy-5,5,7,7,13-pentamethyl-18-phenyl-10-(propan-2-yl)-9,11,19-trioxapentacyclo[10.8.0.0^{2,10}.0^{3,8}.0^{15,20}]icosa-1(12),3(8),13,15(20)-tetraene-4,6,16-trione

> <JCHEM_LOGP>
7.108515257666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.668024181745249

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.989351815443142

> <JCHEM_PKA_STRONGEST_BASIC>
-4.51967589555521

> <JCHEM_POLAR_SURFACE_AREA>
99.13000000000001

> <JCHEM_REFRACTIVITY>
141.5257

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,10R,18S)-14-hydroxy-10-isopropyl-5,5,7,7,13-pentamethyl-18-phenyl-9,11,19-trioxapentacyclo[10.8.0.0^{2,10}.0^{3,8}.0^{15,20}]icosa-1(12),3(8),13,15(20)-tetraene-4,6,16-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-JUN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-JUN-23         0                                  
HETATM    1  O   UNK     0       1.655  -3.637   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       3.112  -4.136   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.409  -5.647   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.865  -6.146   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.162  -7.657   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.619  -8.156   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.915  -9.668   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.755 -10.680   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.298 -10.181   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -8.670   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.273  -3.124   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.730  -3.623   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.026  -5.134   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.890  -2.610   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.419  -2.796   0.000  0.00  0.00           C+0
HETATM   16  H   UNK     0       7.771  -4.192   0.000  0.00  0.00           H+0
HETATM   17  C   UNK     0       9.547  -3.844   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.893  -3.095   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      10.596  -1.584   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       9.068  -1.399   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       7.940  -0.350   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.716  -0.002   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.831   1.258   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      11.250   0.135   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.214  -3.886   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.764  -2.448   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.726  -4.177   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.190  -5.426   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.844  -6.175   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.815  -7.370   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.836  -7.339   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.523  -5.384   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       8.177  -6.133   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      13.511  -6.217   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       6.594  -1.099   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.137  -0.600   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.841   0.911   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       3.976  -1.613   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       2.519  -1.114   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   11                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   13                                                  
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    5                                                       
CONECT   11    2   12   38                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12    4                                                       
CONECT   14   12   15   35                                                  
CONECT   15   14   16   17   20                                             
CONECT   16   15                                                            
CONECT   17   15   18   32                                                  
CONECT   18   17   19   25                                                  
CONECT   19   18   20                                                       
CONECT   20   19   15   21   22                                             
CONECT   21   20   35                                                       
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   18   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   25   29   34                                                  
CONECT   29   28   30   31   32                                             
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   29   17   33                                                  
CONECT   33   32                                                            
CONECT   34   28                                                            
CONECT   35   14   21   36                                                  
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   11   39                                                  
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₃₂O₇

Average Mass

516.5900 Da

Monoisotopic Mass

516.21480 Da

IUPAC Name

(2S,10R,18S)-14-hydroxy-5,5,7,7,13-pentamethyl-18-phenyl-10-(propan-2-yl)-9,11,19-trioxapentacyclo[10.8.0.0^{2,10}.0^{3,8}.0^{15,20}]icosa-1(12),3(8),13,15(20)-tetraene-4,6,16-trione

Traditional Name

(2S,10R,18S)-14-hydroxy-10-isopropyl-5,5,7,7,13-pentamethyl-18-phenyl-9,11,19-trioxapentacyclo[10.8.0.0^{2,10}.0^{3,8}.0^{15,20}]icosa-1(12),3(8),13,15(20)-tetraene-4,6,16-trione

CAS Registry Number

Not Available

SMILES

[H][C@@]12C3=C(O[C@@]1(OC1=C2C(=O)C(C)(C)C(=O)C1(C)C)C(C)C)C(C)=C(O)C1=C3O[C@@H](CC1=O)C1=CC=CC=C1

InChI Identifier

InChI=1S/C31H32O7/c1-14(2)31-22(21-26(34)29(4,5)28(35)30(6,7)27(21)38-31)20-24(37-31)15(3)23(33)19-17(32)13-18(36-25(19)20)16-11-9-8-10-12-16/h8-12,14,18,22,33H,13H2,1-7H3/t18-,22-,31+/m0/s1

InChI Key

QHPOXZBIENSEMH-RYFGPTKPSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
DEPT NMR	¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)	656155668@qq.com	JNU	HUANG QIAN	2025-03-06	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	656155668@qq.com	JNU	HUANG QIAN	2025-03-06	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	656155668@qq.com	JNU	HUANG QIAN	2025-03-06	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	656155668@qq.com	JNU	HUANG QIAN	2025-03-06	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)	656155668@qq.com	JNU	HUANG QIAN	2025-03-06	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)	656155668@qq.com	JNU	HUANG QIAN	2025-03-06	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	656155668@qq.com	JNU	HUANG QIAN	2025-03-06	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400.13 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, 400.13, CDCl₃, simulated)	656155668@qq.com	JNU	HUANG QIAN	2025-03-06	View Spectrum

Species

Species of Origin

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	7.11	ChemAxon
pKa (Strongest Acidic)	8.99	ChemAxon
pKa (Strongest Basic)	-4.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	99.13 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	141.53 m³·mol⁻¹	ChemAxon
Polarizability	55.32 Å³	ChemAxon
Number of Rings	6	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 Chamelauciumol F (NP0350829)

MOL for NP0350829 (Chamelauciumol F)

3D MOL for NP0350829 (Chamelauciumol F)

3D SDF for NP0350829 (Chamelauciumol F)

3D-SDF for NP0350829 (Chamelauciumol F)

PDB for NP0350829 (Chamelauciumol F)

3D PDB for NP0350829 (Chamelauciumol F)

SMILES for NP0350829 (Chamelauciumol F)

INCHI for NP0350829 (Chamelauciumol F)

Structure for NP0350829 (Chamelauciumol F)

3D Structure for NP0350829 (Chamelauciumol F)