NP-MRD: Showing NP-Card for (3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydroxy-beta,epsilon-caroten-4-one (NP0065802)

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Record Information

Version

2.0

Created at

2022-04-28 09:59:49 UTC

Updated at

2022-04-28 09:59:49 UTC

NP-MRD ID

NP0065802

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydroxy-beta,epsilon-caroten-4-one

Description

Alpha-Cryptoeutretiellanone belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. (3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydroxy-beta,epsilon-caroten-4-one is found in Eutreptiella gymnastica. Based on a literature review very few articles have been published on alpha-Cryptoeutretiellanone.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282211592D          

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M  END

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M  END


  Mrv1652304282211592D          

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    0.3668    2.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668    3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3477    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3477    4.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0621    4.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0621    5.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7766    5.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7766    6.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4911    7.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4911    8.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2055    8.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2055    9.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9200    9.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9200   10.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6345   10.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6345   11.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3490   12.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3490   12.9882    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0634   13.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0634   14.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3490   14.6382    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6345   14.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6345   13.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9200   12.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3490   15.4632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5006   12.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8879   13.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3490   10.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9200    8.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3477    5.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668    0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668   -0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813   -0.6243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7957   -0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5102   -0.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957    0.6132    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5102    1.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    0.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704    1.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4577    0.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 19  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 23 27  1  1  0  0  0
 21 28  1  0  0  0  0
 21 29  1  0  0  0  0
 17 30  1  0  0  0  0
 13 31  1  0  0  0  0
  8 32  1  0  0  0  0
  4 33  1  0  0  0  0
  1 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
  1 39  1  0  0  0  0
 39 40  1  1  0  0  0
 36 41  1  1  0  0  0
  1 41  1  0  0  0  0
 34 42  1  0  0  0  0
 34 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0065802

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1C(=O)[C@@H]2CC(C)(C)[C@]1(O2)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-22-35-32(5)25-34(41)26-38(35,7)8)15-11-12-16-29(2)18-14-20-31(4)23-24-40-33(6)37(42)36(43-40)27-39(40,9)10/h11-25,33-36,41H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,28-15+,29-16+,30-19+,31-20+/t33-,34-,35-,36-,40-/m0/s1

> <INCHI_KEY>
LXOSCHGJFLZVOK-QLDIAICVSA-N

> <FORMULA>
C40H54O3

> <MOLECULAR_WEIGHT>
582.869

> <EXACT_MASS>
582.407295599

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
73.46639814889906

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,3R,4S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethyl-7-oxabicyclo[2.2.1]heptan-2-one

> <ALOGPS_LOGP>
8.25

> <JCHEM_LOGP>
8.906067427

> <ALOGPS_LOGS>
-5.93

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.21727233987641

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.529708554270123

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3909999506549404

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
192.6800000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.93e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3R,4S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethyl-7-oxabicyclo[2.2.1]heptan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       2.018   1.915   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.018   3.455   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.685   4.225   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.685   5.765   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.649   6.535   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.649   8.075   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.983   8.845   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.983  10.385   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.316  11.155   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.316  12.695   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.650  13.465   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.650  15.005   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.984  15.775   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.984  17.315   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -7.317  18.085   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -7.317  19.625   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -8.651  20.395   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -8.651  21.935   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -9.985  22.705   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -9.985  24.245   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -11.318  25.015   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -11.318  26.555   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -9.985  27.325   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -8.651  26.555   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -8.651  25.015   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -7.317  24.245   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -9.985  28.865   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0     -12.134  23.709   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -12.857  24.961   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -9.985  19.625   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -7.317  15.005   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.649  11.155   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.018   6.535   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.685   1.145   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.685  -0.395   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.018  -1.165   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       3.352  -0.395   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       4.686  -1.165   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       3.352   1.145   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.686   1.915   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       2.403   0.375   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -0.131   2.451   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -0.854   1.198   0.000  0.00  0.00           C+0
CONECT    1    2   34   39   41                                             
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   33                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   32                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   31                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   30                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   25                                                  
CONECT   21   20   22   28   29                                             
CONECT   22   21   23                                                       
CONECT   23   22   24   27                                                  
CONECT   24   23   25                                                       
CONECT   25   24   20   26                                                  
CONECT   26   25                                                            
CONECT   27   23                                                            
CONECT   28   21                                                            
CONECT   29   21                                                            
CONECT   30   17                                                            
CONECT   31   13                                                            
CONECT   32    8                                                            
CONECT   33    4                                                            
CONECT   34    1   35   42   43                                             
CONECT   35   34   36                                                       
CONECT   36   35   37   41                                                  
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37    1   40                                                  
CONECT   40   39                                                            
CONECT   41   36    1                                                       
CONECT   42   34                                                            
CONECT   43   34                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   90    0
END

View in JSmol

Synonyms

Value	Source
a-Cryptoeutretiellanone	Generator
Α-cryptoeutretiellanone	Generator

Chemical Formula

C₄₀H₅₄O₃

Average Mass

582.8690 Da

Monoisotopic Mass

582.40730 Da

IUPAC Name

(1S,3R,4S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethyl-7-oxabicyclo[2.2.1]heptan-2-one

Traditional Name

CAS Registry Number

Not Available

SMILES

C[C@H]1C(=O)[C@@H]2CC(C)(C)[C@]1(O2)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C

InChI Identifier

InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-22-35-32(5)25-34(41)26-38(35,7)8)15-11-12-16-29(2)18-14-20-31(4)23-24-40-33(6)37(42)36(43-40)27-39(40,9)10/h11-25,33-36,41H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,28-15+,29-16+,30-19+,31-20+/t33-,34-,35-,36-,40-/m0/s1

InChI Key

LXOSCHGJFLZVOK-QLDIAICVSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Eutreptiella gymnastica	-	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Tetraterpenoids

Direct Parent

Xanthophylls

Alternative Parents

Substituents

Xanthophyll
3-furanone
Oxolane
Ketone
Secondary alcohol
Dialkyl ether
Ether
Oxacycle
Organoheterocyclic compound
Organic oxide
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	8.25	ALOGPS
logP	8.91	ChemAxon
logS	-5.9	ALOGPS
pKa (Strongest Acidic)	17.53	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	46.53 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	192.68 m³·mol⁻¹	ChemAxon
Polarizability	73.47 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	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

59700208

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101423918

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydroxy-beta,epsilon-caroten-4-one (NP0065802)

MOL for NP0065802 ((3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydroxy-beta,epsilon-caroten-4-one)

3D MOL for NP0065802 ((3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydroxy-beta,epsilon-caroten-4-one)

3D SDF for NP0065802 ((3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydroxy-beta,epsilon-caroten-4-one)

3D-SDF for NP0065802 ((3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydroxy-beta,epsilon-caroten-4-one)

PDB for NP0065802 ((3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydroxy-beta,epsilon-caroten-4-one)

3D PDB for NP0065802 ((3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydroxy-beta,epsilon-caroten-4-one)

SMILES for NP0065802 ((3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydroxy-beta,epsilon-caroten-4-one)

INCHI for NP0065802 ((3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydroxy-beta,epsilon-caroten-4-one)

Structure for NP0065802 ((3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydroxy-beta,epsilon-caroten-4-one)

3D Structure for NP0065802 ((3S,3'R,5R,6S,6'R)-3,6-Epoxy-5,6-dihydro-3'-hydroxy-beta,epsilon-caroten-4-one)