NP-MRD: Showing NP-Card for chrysobrevione E (NP0333761)

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Record Information

Version

2.0

Created at

2024-08-26 15:05:22 UTC

Updated at

2025-06-11 03:36:16 UTC

NP-MRD ID

NP0333761

Natural Product DOI

https://doi.org/10.57994/3240

Secondary Accession Numbers

None

Natural Product Identification

Common Name

chrysobrevione E

Description

Chrysobrevione E belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Based on a literature review very few articles have been published on chrysobrevione E.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05102317382D          

 36 41  0  0  1  0            999 V2000
    0.1202   -2.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1236   -1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8684   -1.5380    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7775   -2.3580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0554   -0.7344    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5437   -0.0873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0011    0.5993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2813   -0.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2503   -0.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8290   -0.4478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7954    0.3765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4925    0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2232    0.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5278    1.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2567   -0.3897    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9083    0.1164    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8819    0.9409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5829    1.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5909   -0.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3920   -0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9634   -0.7449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7336   -1.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3050   -2.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9326   -1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7028   -2.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6217    0.6426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3612   -1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5366   -1.1657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6904   -1.2611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4640   -0.9744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1665   -1.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3255   -1.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5519   -2.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6182   -1.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7984   -0.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6019   -0.5397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  5  9  1  1  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 26  2  0  0  0  0
 19 27  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 15 28  1  6  0  0  0
 10 29  1  6  0  0  0
 10 30  1  0  0  0  0
 30 15  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
  3 33  1  0  0  0  0
  2 34  2  0  0  0  0
 34 35  1  0  0  0  0
  8 35  1  0  0  0  0
 35 36  2  0  0  0  0
M  END


  Mrv2104 05102317382D          

 36 41  0  0  1  0            999 V2000
    0.1202   -2.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1236   -1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8684   -1.5380    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7775   -2.3580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0554   -0.7344    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5437   -0.0873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0011    0.5993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2813   -0.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2503   -0.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8290   -0.4478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7954    0.3765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4925    0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2232    0.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5278    1.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2567   -0.3897    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9083    0.1164    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8819    0.9409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5829    1.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5909   -0.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3920   -0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9634   -0.7449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7336   -1.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3050   -2.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9326   -1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7028   -2.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6217    0.6426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3612   -1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5366   -1.1657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6904   -1.2611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4640   -0.9744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1665   -1.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3255   -1.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5519   -2.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6182   -1.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7984   -0.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6019   -0.5397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  5  9  1  1  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 26  2  0  0  0  0
 19 27  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 15 28  1  6  0  0  0
 10 29  1  6  0  0  0
 10 30  1  0  0  0  0
 30 15  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
  3 33  1  0  0  0  0
  2 34  2  0  0  0  0
 34 35  1  0  0  0  0
  8 35  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0333761

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12[C@@H]3O[C@H]4CC(=O)C=C(C)[C@]([H])(CC[C@@]1(C)[C@@]1(OC5=C([C@@H]1OC)C(=O)OC(C)=C5C)C(C)=C3)[C@@]24C

> <INCHI_IDENTIFIER>
InChI=1S/C28H34O6/c1-13-10-17(29)12-20-27(6)18(13)8-9-26(5)23(27)19(33-20)11-14(2)28(26)24(31-7)21-22(34-28)15(3)16(4)32-25(21)30/h10-11,18-20,23-24H,8-9,12H2,1-7H3/t18-,19+,20-,23-,24-,26+,27+,28+/m0/s1

> <INCHI_KEY>
SPWLNDQIYKTOCI-UYKCZMECSA-N

> <FORMULA>
C28H34O6

> <MOLECULAR_WEIGHT>
466.574

> <EXACT_MASS>
466.235538815

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
51.01928068010734

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1'R,2S,3S,5'R,8'S,13'S,14'S,15'R)-3-methoxy-3',5',6,7,9',14'-hexamethyl-3,4-dihydro-16'-oxaspiro[furo[3,2-c]pyran-2,4'-tetracyclo[11.2.1.0^{5,15}.0^{8,14}]hexadecane]-2',9'-diene-4,11'-dione

> <JCHEM_LOGP>
3.507183863333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.65004838467317

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.15269291011937

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7961464545474812

> <JCHEM_POLAR_SURFACE_AREA>
71.06

> <JCHEM_REFRACTIVITY>
129.27049999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1'R,2S,3S,5'R,8'S,13'S,14'S,15'R)-3-methoxy-3',5',6,7,9',14'-hexamethyl-3H-16'-oxaspiro[furo[3,2-c]pyran-2,4'-tetracyclo[11.2.1.0^{5,15}.0^{8,14}]hexadecane]-2',9'-diene-4,11'-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-MAY-23         0                                  
HETATM    1  C   UNK     0       0.224  -5.073   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.231  -3.533   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.621  -2.871   0.000  0.00  0.00           C+0
HETATM    4  H   UNK     0       1.451  -4.402   0.000  0.00  0.00           H+0
HETATM    5  C   UNK     0       1.970  -1.371   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.015  -0.163   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.869   1.119   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -0.525  -0.156   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.467  -1.707   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.414  -0.836   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.351   0.703   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.653   1.526   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.017   0.811   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.585   2.243   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.079  -0.727   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.296   0.217   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       7.246   1.756   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       8.555   2.569   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.570  -0.648   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.065  -0.280   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      11.132  -1.390   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      10.703  -2.870   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.769  -3.980   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.207  -3.238   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.779  -4.717   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      10.494   1.200   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       8.141  -2.127   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       6.602  -2.176   0.000  0.00  0.00           O+0
HETATM   29  H   UNK     0       3.155  -2.354   0.000  0.00  0.00           H+0
HETATM   30  C   UNK     0       4.600  -1.819   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.911  -2.626   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.341  -3.337   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.897  -3.872   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -1.154  -2.859   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.490  -1.356   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -2.990  -1.007   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   34                                                  
CONECT    3    2    4    5   33                                             
CONECT    4    3                                                            
CONECT    5    3    6    9   10                                             
CONECT    6    5    7    8                                                  
CONECT    7    6   11                                                       
CONECT    8    6   35                                                       
CONECT    9    5                                                            
CONECT   10    5   11   29   30                                             
CONECT   11   10    7   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   28   30                                             
CONECT   16   15   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   20   27                                                  
CONECT   20   19   21   26                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   27                                                  
CONECT   25   24                                                            
CONECT   26   20                                                            
CONECT   27   19   24   28                                                  
CONECT   28   27   15                                                       
CONECT   29   10                                                            
CONECT   30   10   15   31   32                                             
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32    3                                                       
CONECT   34    2   35                                                       
CONECT   35   34    8   36                                                  
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₄O₆

Average Mass

466.5740 Da

Monoisotopic Mass

466.23554 Da

IUPAC Name

(1'R,2S,3S,5'R,8'S,13'S,14'S,15'R)-3-methoxy-3',5',6,7,9',14'-hexamethyl-3,4-dihydro-16'-oxaspiro[furo[3,2-c]pyran-2,4'-tetracyclo[11.2.1.0^{5,15}.0^{8,14}]hexadecane]-2',9'-diene-4,11'-dione

Traditional Name

(1'R,2S,3S,5'R,8'S,13'S,14'S,15'R)-3-methoxy-3',5',6,7,9',14'-hexamethyl-3H-16'-oxaspiro[furo[3,2-c]pyran-2,4'-tetracyclo[11.2.1.0^{5,15}.0^{8,14}]hexadecane]-2',9'-diene-4,11'-dione

CAS Registry Number

Not Available

SMILES

[H][C@]12[C@@H]3O[C@H]4CC(=O)C=C(C)[C@]([H])(CC[C@@]1(C)[C@@]1(OC5=C([C@@H]1OC)C(=O)OC(C)=C5C)C(C)=C3)[C@@]24C

InChI Identifier

InChI=1S/C28H34O6/c1-13-10-17(29)12-20-27(6)18(13)8-9-26(5)23(27)19(33-20)11-14(2)28(26)24(31-7)21-22(34-28)15(3)16(4)32-25(21)30/h10-11,18-20,23-24H,8-9,12H2,1-7H3/t18-,19+,20-,23-,24-,26+,27+,28+/m0/s1

InChI Key

SPWLNDQIYKTOCI-UYKCZMECSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	niusiwen@tio.org.cn	Third Institute of Oceanography, Ministry of Natural Resources	Siwen Niu	2024-08-26	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	niusiwen@tio.org.cn	Third Institute of Oceanography, Ministry of Natural Resources	Siwen Niu	2024-08-26	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	niusiwen@tio.org.cn	Third Institute of Oceanography, Ministry of Natural Resources	Siwen Niu	2024-08-26	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	niusiwen@tio.org.cn	Third Institute of Oceanography, Ministry of Natural Resources	Siwen Niu	2024-08-26	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)	niusiwen@tio.org.cn	Third Institute of Oceanography, Ministry of Natural Resources	Siwen Niu	2024-08-26	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)	niusiwen@tio.org.cn	Third Institute of Oceanography, Ministry of Natural Resources	Siwen Niu	2024-08-26	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Diterpenoid
Diterpene lactone
Pyranone
Fatty acid ester
Alkyl aryl ether
Fatty acyl
Pyran
Heteroaromatic compound
Vinylogous ester
Alpha,beta-unsaturated ketone
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Enone
Enol ester
Dihydrofuran
Acryloyl-group
Cyclic ketone
Lactone
Ketone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Ether
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
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	3.51	ChemAxon
pKa (Strongest Acidic)	18.15	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	71.06 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	129.27 m³·mol⁻¹	ChemAxon
Polarizability	51.02 Å³	ChemAxon
Number of Rings	6	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for chrysobrevione E (NP0333761)

MOL for NP0333761 (chrysobrevione E)

3D MOL for NP0333761 (chrysobrevione E)

3D SDF for NP0333761 (chrysobrevione E)

3D-SDF for NP0333761 (chrysobrevione E)

PDB for NP0333761 (chrysobrevione E)

3D PDB for NP0333761 (chrysobrevione E)

SMILES for NP0333761 (chrysobrevione E)

INCHI for NP0333761 (chrysobrevione E)

Structure for NP0333761 (chrysobrevione E)

3D Structure for NP0333761 (chrysobrevione E)