NP-MRD: Showing NP-Card for asperterpenoid F (NP0350887)

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Record Information

Version

2.0

Created at

2025-03-24 07:55:58 UTC

Updated at

2025-06-11 02:39:09 UTC

NP-MRD ID

NP0350887

Natural Product DOI

https://doi.org/10.57994/3872

Secondary Accession Numbers

None

Natural Product Identification

Common Name

asperterpenoid F

Description

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

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01042310212D          

 39 43  0  0  1  0            999 V2000
    1.3941   -0.2056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7598    0.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3022    1.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4789    1.1674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6679    1.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5831    0.5870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0407   -0.0994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8640   -0.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3216   -0.7328    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6310    0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4480    0.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1278   -0.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7674   -1.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5546   -0.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8177   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6265    0.1131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8896    0.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2721    0.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0326   -1.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5407   -2.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7588   -1.9036    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0193   -1.5380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1085   -2.4113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6633   -3.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3061   -2.2193    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5410   -3.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5350   -2.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9559   -1.4723    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7809   -1.4809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1326   -1.5254    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5160   -2.2559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -0.8389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1482   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8808   -1.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8475   -1.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6212   -2.1727    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8443   -2.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437   -3.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680   -3.5573    0.0000 C   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  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 13  1  0  0  0  0
 21 22  1  6  0  0  0
 23 21  1  0  0  0  0
 23 24  1  1  0  0  0
 25 23  1  0  0  0  0
 25 26  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  1  0  0  0
 28 25  1  0  0  0  0
 28  9  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32  7  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 36 35  1  0  0  0  0
 30 36  1  0  0  0  0
 36 37  1  6  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
M  END


  Mrv2104 01042310212D          

 39 43  0  0  1  0            999 V2000
    1.3941   -0.2056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7598    0.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3022    1.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4789    1.1674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6679    1.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5831    0.5870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0407   -0.0994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8640   -0.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3216   -0.7328    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6310    0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4480    0.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1278   -0.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7674   -1.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5546   -0.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8177   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6265    0.1131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8896    0.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2721    0.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0326   -1.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5407   -2.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7588   -1.9036    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0193   -1.5380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1085   -2.4113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6633   -3.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3061   -2.2193    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5410   -3.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5350   -2.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9559   -1.4723    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7809   -1.4809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1326   -1.5254    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5160   -2.2559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -0.8389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1482   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8808   -1.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8475   -1.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6212   -2.1727    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8443   -2.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437   -3.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680   -3.5573    0.0000 C   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  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 13  1  0  0  0  0
 21 22  1  6  0  0  0
 23 21  1  0  0  0  0
 23 24  1  1  0  0  0
 25 23  1  0  0  0  0
 25 26  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  1  0  0  0
 28 25  1  0  0  0  0
 28  9  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32  7  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 36 35  1  0  0  0  0
 30 36  1  0  0  0  0
 36 37  1  6  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0350887

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12C[C@@]1(C)[C@]1([H])CCC(C(=O)OC)=C1C[C@@]1(CO)C[C@H](OC(=O)C(O)=O)[C@]3(C)CC[C@@H](C(C)C)[C@@]3([H])[C@]21[H]

> <INCHI_IDENTIFIER>
InChI=1S/C28H40O7/c1-14(2)15-8-9-26(3)20(35-25(33)23(30)31)12-28(13-29)10-17-16(24(32)34-5)6-7-18(17)27(4)11-19(27)22(28)21(15)26/h14-15,18-22,29H,6-13H2,1-5H3,(H,30,31)/t15-,18+,19+,20-,21-,22-,26-,27-,28-/m0/s1

> <INCHI_KEY>
OFVUVTHMAWPRGD-CINSTOAFSA-N

> <FORMULA>
C28H40O7

> <MOLECULAR_WEIGHT>
488.621

> <EXACT_MASS>
488.277403628

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
54.0581466734091

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (1S,2R,4R,5S,11R,13S,14R,17S,18S)-13-[(carboxycarbonyl)oxy]-11-(hydroxymethyl)-4,14-dimethyl-17-(propan-2-yl)pentacyclo[9.7.0.0^{2,4}.0^{5,9}.0^{14,18}]octadec-8-ene-8-carboxylate

> <JCHEM_LOGP>
4.336856471333332

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.085863855153454

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7198428296098283

> <JCHEM_PKA_STRONGEST_BASIC>
-2.761243426707477

> <JCHEM_POLAR_SURFACE_AREA>
110.13

> <JCHEM_REFRACTIVITY>
128.16839999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl (1S,2R,4R,5S,11R,13S,14R,17S,18S)-13-[(carboxycarbonyl)oxy]-11-(hydroxymethyl)-17-isopropyl-4,14-dimethylpentacyclo[9.7.0.0^{2,4}.0^{5,9}.0^{14,18}]octadec-8-ene-8-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JAN-23         0                                  
HETATM    1  O   UNK     0       2.602  -0.384   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       3.285   0.997   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.431   2.278   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       0.894   2.179   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       3.113   3.659   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       4.822   1.096   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.676  -0.186   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.213  -0.087   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.067  -1.368   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.645   0.060   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      10.170   0.273   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       9.572  -1.041   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.766  -2.014   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.235  -1.553   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.726  -0.093   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      14.236   0.211   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      14.727   1.671   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      11.708   1.062   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      13.127  -2.808   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.209  -4.045   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.750  -3.553   0.000  0.00  0.00           C+0
HETATM   22  H   UNK     0       9.369  -2.871   0.000  0.00  0.00           H+0
HETATM   23  C   UNK     0       9.536  -4.501   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.571  -5.641   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.038  -4.143   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.477  -5.619   0.000  0.00  0.00           C+0
HETATM   27  H   UNK     0       6.599  -4.690   0.000  0.00  0.00           H+0
HETATM   28  C   UNK     0       7.384  -2.748   0.000  0.00  0.00           C+0
HETATM   29  H   UNK     0       8.924  -2.764   0.000  0.00  0.00           H+0
HETATM   30  C   UNK     0       5.848  -2.847   0.000  0.00  0.00           C+0
HETATM   31  H   UNK     0       6.563  -4.211   0.000  0.00  0.00           H+0
HETATM   32  C   UNK     0       4.993  -1.566   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.010  -0.381   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.511  -1.982   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.449  -3.521   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.893  -4.056   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.309  -5.538   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.802  -5.919   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.234  -6.640   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    2    7                                                       
CONECT    7    6    8   32                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   12   28                                             
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9   13                                                       
CONECT   13   12   14   21                                                  
CONECT   14   13   15   19                                                  
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15                                                            
CONECT   19   14   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   13   22   23                                             
CONECT   22   21                                                            
CONECT   23   21   24   25   26                                             
CONECT   24   23                                                            
CONECT   25   23   26   27   28                                             
CONECT   26   25   23                                                       
CONECT   27   25                                                            
CONECT   28   25    9   29   30                                             
CONECT   29   28                                                            
CONECT   30   28   31   32   36                                             
CONECT   31   30                                                            
CONECT   32   30    7   33   34                                             
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   30   37                                                  
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₄₀O₇

Average Mass

488.6210 Da

Monoisotopic Mass

488.27740 Da

IUPAC Name

methyl (1S,2R,4R,5S,11R,13S,14R,17S,18S)-13-[(carboxycarbonyl)oxy]-11-(hydroxymethyl)-4,14-dimethyl-17-(propan-2-yl)pentacyclo[9.7.0.0^{2,4}.0^{5,9}.0^{14,18}]octadec-8-ene-8-carboxylate

Traditional Name

methyl (1S,2R,4R,5S,11R,13S,14R,17S,18S)-13-[(carboxycarbonyl)oxy]-11-(hydroxymethyl)-17-isopropyl-4,14-dimethylpentacyclo[9.7.0.0^{2,4}.0^{5,9}.0^{14,18}]octadec-8-ene-8-carboxylate

CAS Registry Number

Not Available

SMILES

[H][C@]12C[C@@]1(C)[C@]1([H])CCC(C(=O)OC)=C1C[C@@]1(CO)C[C@H](OC(=O)C(O)=O)[C@]3(C)CC[C@@H](C(C)C)[C@@]3([H])[C@]21[H]

InChI Identifier

InChI=1S/C28H40O7/c1-14(2)15-8-9-26(3)20(35-25(33)23(30)31)12-28(13-29)10-17-16(24(32)34-5)6-7-18(17)27(4)11-19(27)22(28)21(15)26/h14-15,18-22,29H,6-13H2,1-5H3,(H,30,31)/t15-,18+,19+,20-,21-,22-,26-,27-,28-/m0/s1

InChI Key

OFVUVTHMAWPRGD-CINSTOAFSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	xxbai2014@163.com	Guangxi University of Chinese Medicine	Meng Bai	2025-03-24	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	xxbai2014@163.com	Guangxi University of Chinese Medicine	Meng Bai	2025-03-24	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	xxbai2014@163.com	Guangxi University of Chinese Medicine	Meng Bai	2025-03-24	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	xxbai2014@163.com	Guangxi University of Chinese Medicine	Meng Bai	2025-03-24	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)	xxbai2014@163.com	Guangxi University of Chinese Medicine	Meng Bai	2025-03-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)	xxbai2014@163.com	Guangxi University of Chinese Medicine	Meng Bai	2025-03-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)	xxbai2014@163.com	Guangxi University of Chinese Medicine	Meng Bai	2025-03-24	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
Aspergillus Aspergillus sp.		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	4.34	ChemAxon
pKa (Strongest Acidic)	2.72	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	110.13 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	128.17 m³·mol⁻¹	ChemAxon
Polarizability	54.06 Å³	ChemAxon
Number of Rings	5	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 asperterpenoid F (NP0350887)

MOL for NP0350887 (asperterpenoid F)

3D MOL for NP0350887 (asperterpenoid F)

3D SDF for NP0350887 (asperterpenoid F)

3D-SDF for NP0350887 (asperterpenoid F)

PDB for NP0350887 (asperterpenoid F)

3D PDB for NP0350887 (asperterpenoid F)

SMILES for NP0350887 (asperterpenoid F)

INCHI for NP0350887 (asperterpenoid F)

Structure for NP0350887 (asperterpenoid F)

3D Structure for NP0350887 (asperterpenoid F)