NP-MRD: Showing NP-Card for (2R,2'S)-3',4'-Didehydro-1',2'-dihydro-2-[(2E)-4-(beta-D-glucopyranosyloxy)-3-methyl-2-butenyl]-1'-hydroxy-2'-(3-methyl-2-butenyl)-beta,psi-carotene (NP0065837)

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Record Information

Version

2.0

Created at

2022-04-28 10:02:18 UTC

Updated at

2022-04-28 10:02:18 UTC

NP-MRD ID

NP0065837

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2R,2'S)-3',4'-Didehydro-1',2'-dihydro-2-[(2E)-4-(beta-D-glucopyranosyloxy)-3-methyl-2-butenyl]-1'-hydroxy-2'-(3-methyl-2-butenyl)-beta,psi-carotene

Description

(2R,3R,4S,5R,6R)-2-{[(2E)-4-[(1R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23S)-24-hydroxy-3,7,12,16,20,24-hexamethyl-23-(3-methylbut-2-en-1-yl)pentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-1-yl]-2,2,4-trimethylcyclohex-3-en-1-yl]-2-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 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. (2R,2'S)-3',4'-Didehydro-1',2'-dihydro-2-[(2E)-4-(beta-D-glucopyranosyloxy)-3-methyl-2-butenyl]-1'-hydroxy-2'-(3-methyl-2-butenyl)-beta,psi-carotene is found in Curtobacterium flaccumfaciens pv. poinsettiae. Based on a literature review very few articles have been published on (2R,3R,4S,5R,6R)-2-{[(2E)-4-[(1R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23S)-24-hydroxy-3,7,12,16,20,24-hexamethyl-23-(3-methylbut-2-en-1-yl)pentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-1-yl]-2,2,4-trimethylcyclohex-3-en-1-yl]-2-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282212022D          

 63 64  0  0  1  0            999 V2000
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  6  0  0  0
  9 10  1  0  0  0  0
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 14 13  1  1  0  0  0
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 17 22  1  1  0  0  0
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 42 60  1  0  0  0  0
 38 61  1  0  0  0  0
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 29 63  1  0  0  0  0
M  END

     RDKit          3D

145146  0  0  0  0  0  0  0  0999 V2000
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   15.0019    2.2955   -0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


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M  END
> <DATABASE_ID>
NP0065837

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CC[C@@H](\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CC[C@H](C\C=C(/C)CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C1(C)C)C(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C56H82O7/c1-39(2)27-32-48(56(12,13)61)34-28-43(6)25-18-24-42(5)23-16-21-40(3)19-14-15-20-41(4)22-17-26-44(7)30-36-49-46(9)31-35-47(55(49,10)11)33-29-45(8)38-62-54-53(60)52(59)51(58)50(37-57)63-54/h14-30,34,36,47-48,50-54,57-61H,31-33,35,37-38H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,34-28+,36-30+,40-19+,41-20+,42-23+,43-25+,44-26+,45-29+/t47-,48-,50+,51-,52-,53+,54+/m0/s1

> <INCHI_KEY>
LGDWPFWIHIKTNI-CRJDPRKXSA-N

> <FORMULA>
C56H82O7

> <MOLECULAR_WEIGHT>
867.265

> <EXACT_MASS>
866.60605498

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
145

> <JCHEM_AVERAGE_POLARIZABILITY>
109.09072196927585

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5R,6R)-2-{[(2E)-4-[(1R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23S)-24-hydroxy-3,7,12,16,20,24-hexamethyl-23-(3-methylbut-2-en-1-yl)pentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-1-yl]-2,2,4-trimethylcyclohex-3-en-1-yl]-2-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
8.41

> <JCHEM_LOGP>
10.131175939666665

> <ALOGPS_LOGS>
-6.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.200070462262797

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.210511039440465

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8741836333481966

> <JCHEM_POLAR_SURFACE_AREA>
119.61000000000001

> <JCHEM_REFRACTIVITY>
278.423

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.70e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4S,5R,6R)-2-{[(2E)-4-[(1R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23S)-24-hydroxy-3,7,12,16,20,24-hexamethyl-23-(3-methylbut-2-en-1-yl)pentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-1-yl]-2,2,4-trimethylcyclohex-3-en-1-yl]-2-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <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      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.724  -5.570   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.278  -5.570   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0     -12.003  -6.930   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0     -13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -14.670 -10.010   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -16.004  -9.240   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -16.004  -7.700   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0     -14.670  -6.930   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0     -17.338  -6.930   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0     -18.672  -7.700   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0     -17.338 -10.010   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0     -14.670 -11.550   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0     -12.003 -10.010   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      16.004  -7.700   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      17.338  -6.930   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      18.672  -7.700   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      20.005  -6.930   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      21.339  -7.700   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      22.673  -6.930   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      24.006  -7.700   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      25.340  -6.930   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      26.674  -7.700   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      28.007  -6.930   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      28.007  -5.390   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      28.007  -3.850   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      29.547  -5.390   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      26.467  -5.390   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      29.341  -7.700   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      30.675  -6.930   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      32.008  -7.700   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      33.342  -6.930   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      32.008  -9.240   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      24.006  -9.240   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      18.672  -9.240   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
CONECT    1    2    6   27                                                  
CONECT    2    1    3   26                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    9                                                  
CONECT    6    5    1    7    8                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    5   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   25                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16   24                                                  
CONECT   16   15   17   23                                                  
CONECT   17   16   18   22                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18   14                                                       
CONECT   20   18   21                                                       
CONECT   21   20                                                            
CONECT   22   17                                                            
CONECT   23   16                                                            
CONECT   24   15                                                            
CONECT   25   11                                                            
CONECT   26    2                                                            
CONECT   27    1   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   63                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   62                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   61                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   60                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47   59                                                  
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   54                                                  
CONECT   50   49   51   52   53                                             
CONECT   51   50                                                            
CONECT   52   50                                                            
CONECT   53   50                                                            
CONECT   54   49   55                                                       
CONECT   55   54   56                                                       
CONECT   56   55   57   58                                                  
CONECT   57   56                                                            
CONECT   58   56                                                            
CONECT   59   46                                                            
CONECT   60   42                                                            
CONECT   61   38                                                            
CONECT   62   33                                                            
CONECT   63   29                                                            
MASTER        0    0    0    0    0    0    0    0   63    0  128    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₆H₈₂O₇

Average Mass

867.2650 Da

Monoisotopic Mass

866.60605 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

CC(C)=CC[C@@H](\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CC[C@H](C\C=C(/C)CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C1(C)C)C(C)(C)O

InChI Identifier

InChI=1S/C56H82O7/c1-39(2)27-32-48(56(12,13)61)34-28-43(6)25-18-24-42(5)23-16-21-40(3)19-14-15-20-41(4)22-17-26-44(7)30-36-49-46(9)31-35-47(55(49,10)11)33-29-45(8)38-62-54-53(60)52(59)51(58)50(37-57)63-54/h14-30,34,36,47-48,50-54,57-61H,31-33,35,37-38H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,34-28+,36-30+,40-19+,41-20+,42-23+,43-25+,44-26+,45-29+/t47-,48-,50+,51-,52-,53+,54+/m0/s1

InChI Key

LGDWPFWIHIKTNI-CRJDPRKXSA-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
Curtobacterium flaccumfaciens pv. poinsettiae	Bacteria	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
Fatty acyl glycoside of mono- or disaccharide
Fatty acyl glycoside
Hexose monosaccharide
Alkyl glycoside
O-glycosyl compound
Glycosyl compound
Fatty acyl
Oxane
Monosaccharide
Tertiary alcohol
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	8.41	ALOGPS
logP	10.13	ChemAxon
logS	-6.2	ALOGPS
pKa (Strongest Acidic)	12.21	ChemAxon
pKa (Strongest Basic)	-0.87	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	119.61 Å²	ChemAxon
Rotatable Bond Count	21	ChemAxon
Refractivity	278.42 m³·mol⁻¹	ChemAxon
Polarizability	109.09 Å³	ChemAxon
Number of Rings	2	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

163043070

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (2R,2'S)-3',4'-Didehydro-1',2'-dihydro-2-[(2E)-4-(beta-D-glucopyranosyloxy)-3-methyl-2-butenyl]-1'-hydroxy-2'-(3-methyl-2-butenyl)-beta,psi-carotene (NP0065837)

MOL for NP0065837 ((2R,2'S)-3',4'-Didehydro-1',2'-dihydro-2-[(2E)-4-(beta-D-glucopyranosyloxy)-3-methyl-2-butenyl]-1'-hydroxy-2'-(3-methyl-2-butenyl)-beta,psi-carotene)

3D MOL for NP0065837 ((2R,2'S)-3',4'-Didehydro-1',2'-dihydro-2-[(2E)-4-(beta-D-glucopyranosyloxy)-3-methyl-2-butenyl]-1'-hydroxy-2'-(3-methyl-2-butenyl)-beta,psi-carotene)

3D SDF for NP0065837 ((2R,2'S)-3',4'-Didehydro-1',2'-dihydro-2-[(2E)-4-(beta-D-glucopyranosyloxy)-3-methyl-2-butenyl]-1'-hydroxy-2'-(3-methyl-2-butenyl)-beta,psi-carotene)

3D-SDF for NP0065837 ((2R,2'S)-3',4'-Didehydro-1',2'-dihydro-2-[(2E)-4-(beta-D-glucopyranosyloxy)-3-methyl-2-butenyl]-1'-hydroxy-2'-(3-methyl-2-butenyl)-beta,psi-carotene)

PDB for NP0065837 ((2R,2'S)-3',4'-Didehydro-1',2'-dihydro-2-[(2E)-4-(beta-D-glucopyranosyloxy)-3-methyl-2-butenyl]-1'-hydroxy-2'-(3-methyl-2-butenyl)-beta,psi-carotene)

3D PDB for NP0065837 ((2R,2'S)-3',4'-Didehydro-1',2'-dihydro-2-[(2E)-4-(beta-D-glucopyranosyloxy)-3-methyl-2-butenyl]-1'-hydroxy-2'-(3-methyl-2-butenyl)-beta,psi-carotene)

SMILES for NP0065837 ((2R,2'S)-3',4'-Didehydro-1',2'-dihydro-2-[(2E)-4-(beta-D-glucopyranosyloxy)-3-methyl-2-butenyl]-1'-hydroxy-2'-(3-methyl-2-butenyl)-beta,psi-carotene)

INCHI for NP0065837 ((2R,2'S)-3',4'-Didehydro-1',2'-dihydro-2-[(2E)-4-(beta-D-glucopyranosyloxy)-3-methyl-2-butenyl]-1'-hydroxy-2'-(3-methyl-2-butenyl)-beta,psi-carotene)

Structure for NP0065837 ((2R,2'S)-3',4'-Didehydro-1',2'-dihydro-2-[(2E)-4-(beta-D-glucopyranosyloxy)-3-methyl-2-butenyl]-1'-hydroxy-2'-(3-methyl-2-butenyl)-beta,psi-carotene)

3D Structure for NP0065837 ((2R,2'S)-3',4'-Didehydro-1',2'-dihydro-2-[(2E)-4-(beta-D-glucopyranosyloxy)-3-methyl-2-butenyl]-1'-hydroxy-2'-(3-methyl-2-butenyl)-beta,psi-carotene)