NP-MRD: Showing NP-Card for Cryptoxanthin-alpha (NP0050100)

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Record Information

Version

2.0

Created at

2022-03-17 21:23:15 UTC

Updated at

2022-03-17 21:23:15 UTC

NP-MRD ID

NP0050100

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Cryptoxanthin-alpha

Description

Cryptoxanthin-alpha is found in Antithamnion plumula, Ceramium rubrum and Medicago spp.. (1R,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652301212022263D          

 41 42  0  0  0  0            999 V2000
   -3.1526    2.7404    2.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5587    0.5910   -0.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5668    0.3672    3.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7613   -0.4944   -0.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4340   -2.3351    1.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0460   -0.7527    2.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7121   -0.4930   -2.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3108    1.1991   -1.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5061    0.6372   -2.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3123   -0.5613   -1.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6686    2.3874    1.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031    1.9330    0.7345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4450    1.1497    1.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1562    1.4264    0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8166   -1.1783   -0.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9258    1.7809    1.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874    2.4076    0.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2984    1.3038    1.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1680    2.1862    0.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5340    0.5578    0.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5777    1.6584    0.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0360   -2.4252   -0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8005   -0.2585    0.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8257    0.7680   -0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8209   -0.6159    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6621   -0.1623   -0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9672   -0.4274   -1.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6032   -2.4297    0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3625   -1.8142   -2.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0803    1.9022    1.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7767    1.7760    0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6502    0.1390    1.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3839    0.6792   -0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8215   -1.8767    0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6216   -1.1656    0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1829   -2.8626   -0.9904 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.0049   -1.0238   -0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1544   -0.1322   -0.2441 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.5370   -0.3143   -1.4963 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7874   -0.4518   -1.5525 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9805   -4.0046   -1.2756 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7 39  1  0  0  0  0
  8 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  2  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 27  1  0  0  0  0
 16 30  2  0  0  0  0
 17 31  2  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  2  0  0  0  0
 21 33  2  0  0  0  0
 22 34  1  0  0  0  0
 23 25  2  0  0  0  0
 23 32  1  0  0  0  0
 24 26  2  0  0  0  0
 24 33  1  0  0  0  0
 25 37  1  0  0  0  0
 38 26  1  6  0  0  0
 27 39  1  0  0  0  0
 28 35  2  0  0  0  0
 28 36  1  0  0  0  0
 29 36  1  0  0  0  0
 29 40  1  0  0  0  0
 34 37  2  0  0  0  0
 35 38  1  0  0  0  0
 36 41  1  6  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END


  Mrv1652301212022263D          

 41 42  0  0  0  0            999 V2000
   -3.1526    2.7404    2.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5587    0.5910   -0.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5668    0.3672    3.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7613   -0.4944   -0.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4340   -2.3351    1.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0460   -0.7527    2.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7121   -0.4930   -2.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3108    1.1991   -1.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5061    0.6372   -2.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3123   -0.5613   -1.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6686    2.3874    1.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031    1.9330    0.7345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4450    1.1497    1.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1562    1.4264    0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8166   -1.1783   -0.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9258    1.7809    1.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874    2.4076    0.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2984    1.3038    1.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1680    2.1862    0.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5340    0.5578    0.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5777    1.6584    0.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0360   -2.4252   -0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8005   -0.2585    0.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8257    0.7680   -0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8209   -0.6159    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6621   -0.1623   -0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9672   -0.4274   -1.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6032   -2.4297    0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3625   -1.8142   -2.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0803    1.9022    1.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7767    1.7760    0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6502    0.1390    1.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3839    0.6792   -0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8215   -1.8767    0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6216   -1.1656    0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1829   -2.8626   -0.9904 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.0049   -1.0238   -0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1544   -0.1322   -0.2441 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.5370   -0.3143   -1.4963 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7874   -0.4518   -1.5525 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9805   -4.0046   -1.2756 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7 39  1  0  0  0  0
  8 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  2  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 27  1  0  0  0  0
 16 30  2  0  0  0  0
 17 31  2  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  2  0  0  0  0
 21 33  2  0  0  0  0
 22 34  1  0  0  0  0
 23 25  2  0  0  0  0
 23 32  1  0  0  0  0
 24 26  2  0  0  0  0
 24 33  1  0  0  0  0
 25 37  1  0  0  0  0
 38 26  1  6  0  0  0
 27 39  1  0  0  0  0
 28 35  2  0  0  0  0
 28 36  1  0  0  0  0
 29 36  1  0  0  0  0
 29 40  1  0  0  0  0
 34 37  2  0  0  0  0
 35 38  1  0  0  0  0
 36 41  1  6  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0050100

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C=CC1=C(C)CCCC1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23?,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38-/m0/s1

> <INCHI_KEY>
ORAKUVXRZWMARG-AALGFZACSA-N

> <FORMULA>
C40H56O

> <MOLECULAR_WEIGHT>
552.887

> <EXACT_MASS>
552.433116423

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
73.04245657966956

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol

> <ALOGPS_LOGP>
9.10

> <JCHEM_LOGP>
9.936927857666667

> <ALOGPS_LOGS>
-6.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.21727233987641

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3915650785380587

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
193.3939

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.14e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 21-JAN-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-JAN-20         0                                  
HETATM    1  C   UNK     0      -3.153   2.740   2.813  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.559   0.591  -0.486  0.00  0.00           C+0
HETATM    3  C   UNK     0      -7.567   0.367   3.060  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.761  -0.494  -0.803  0.00  0.00           C+0
HETATM    5  C   UNK     0     -11.434  -2.335   1.673  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.046  -0.753   2.139  0.00  0.00           C+0
HETATM    7  C   UNK     0     -10.712  -0.493  -2.731  0.00  0.00           C+0
HETATM    8  C   UNK     0     -11.311   1.199  -1.123  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.506   0.637  -2.557  0.00  0.00           C+0
HETATM   10  C   UNK     0      13.312  -0.561  -1.346  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.669   2.387   1.385  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.403   1.933   0.735  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.445   1.150   1.672  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.156   1.426   0.160  0.00  0.00           C+0
HETATM   15  C   UNK     0     -13.817  -1.178  -0.787  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.926   1.781   1.023  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.787   2.408   0.953  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.298   1.304   1.065  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.168   2.186   0.644  0.00  0.00           C+0
HETATM   20  C   UNK     0      -6.534   0.558   0.946  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.578   1.658   0.316  0.00  0.00           C+0
HETATM   22  C   UNK     0     -13.036  -2.425  -0.353  0.00  0.00           C+0
HETATM   23  C   UNK     0      -8.800  -0.259   0.916  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.826   0.768  -0.022  0.00  0.00           C+0
HETATM   25  C   UNK     0      -9.821  -0.616   0.363  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.662  -0.162  -0.351  0.00  0.00           C+0
HETATM   27  C   UNK     0     -12.967  -0.427  -1.820  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.603  -2.430   0.365  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.363  -1.814  -2.054  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.080   1.902   1.627  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.777   1.776   0.387  0.00  0.00           C+0
HETATM   32  C   UNK     0      -7.650   0.139   1.564  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.384   0.679  -0.166  0.00  0.00           C+0
HETATM   34  C   UNK     0     -11.822  -1.877   0.321  0.00  0.00           C+0
HETATM   35  C   UNK     0      11.622  -1.166   0.761  0.00  0.00           C+0
HETATM   36  C   UNK     0      11.183  -2.863  -0.990  0.00  0.00           C+0
HETATM   37  C   UNK     0     -11.005  -1.024  -0.304  0.00  0.00           C+0
HETATM   38  C   UNK     0      11.154  -0.132  -0.244  0.00  0.00           C+0
HETATM   39  C   UNK     0     -11.537  -0.314  -1.496  0.00  0.00           C+0
HETATM   40  C   UNK     0      11.787  -0.452  -1.553  0.00  0.00           C+0
HETATM   41  O   UNK     0      11.980  -4.005  -1.276  0.00  0.00           O+0
CONECT    1   30                                                            
CONECT    2   31                                                            
CONECT    3   32                                                            
CONECT    4   33                                                            
CONECT    5   34                                                            
CONECT    6   35                                                            
CONECT    7   39                                                            
CONECT    8   39                                                            
CONECT    9   40                                                            
CONECT   10   40                                                            
CONECT   11   12   16                                                       
CONECT   12   11   17                                                       
CONECT   13   18   20                                                       
CONECT   14   19   21                                                       
CONECT   15   22   27                                                       
CONECT   16   11   30                                                       
CONECT   17   12   31                                                       
CONECT   18   13   30                                                       
CONECT   19   14   31                                                       
CONECT   20   13   32                                                       
CONECT   21   14   33                                                       
CONECT   22   15   34                                                       
CONECT   23   25   32                                                       
CONECT   24   26   33                                                       
CONECT   25   23   37                                                       
CONECT   26   24   38                                                       
CONECT   27   15   39                                                       
CONECT   28   35   36                                                       
CONECT   29   36   40                                                       
CONECT   30    1   16   18                                                  
CONECT   31    2   17   19                                                  
CONECT   32    3   20   23                                                  
CONECT   33    4   21   24                                                  
CONECT   34    5   22   37                                                  
CONECT   35    6   28   38                                                  
CONECT   36   28   29   41                                                  
CONECT   37   25   34   39                                                  
CONECT   38   26   35   40                                                  
CONECT   39    7    8   27   37                                             
CONECT   40    9   10   29   38                                             
CONECT   41   36                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₅₆O

Average Mass

552.8870 Da

Monoisotopic Mass

552.43312 Da

IUPAC Name

(1R,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol

Traditional Name

(1R,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol

CAS Registry Number

Not Available

SMILES

C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C=CC1=C(C)CCCC1(C)C

InChI Identifier

InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23?,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38-/m0/s1

InChI Key

ORAKUVXRZWMARG-AALGFZACSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Antithamnion plumula	Plant	KNApSAcK
Ceramium rubrum	Plant	KNApSAcK
Citrus paradisi	FooDB	PHYTOHUB
Medicago spp.	Plant	KNApSAcK
Persea americana	FooDB	PHYTOHUB
Prunus armeniaca	FooDB	PHYTOHUB
Zea mays L.	FooDB	PHYTOHUB

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	9.1	ALOGPS
logP	9.94	ChemAxon
logS	-6	ALOGPS
pKa (Strongest Acidic)	18.22	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	193.39 m³·mol⁻¹	ChemAxon
Polarizability	73.04 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	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

Not Available

Showing NP-Card for Cryptoxanthin-alpha (NP0050100)

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Structure for NP0050100 (Cryptoxanthin-alpha)

3D Structure for NP0050100 (Cryptoxanthin-alpha)