NP-MRD: Showing NP-Card for 7,8-Dehydroastaxanthianthin (NP0337483)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2024-09-11 11:03:37 UTC

Updated at

2024-09-11 11:03:38 UTC

NP-MRD ID

NP0337483

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7,8-Dehydroastaxanthianthin

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262313352D          

 44 45  0  0  0  0            999 V2000
   10.7171    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1855    7.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2461    7.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3908    2.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3302    2.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  3  0  0  0  0
 27  1  1  0  0  0  0
 27 15  2  0  0  0  0
 27 17  1  0  0  0  0
 28  2  1  0  0  0  0
 28 16  2  0  0  0  0
 28 18  1  0  0  0  0
 29  3  1  0  0  0  0
 29 19  2  0  0  0  0
 29 21  1  0  0  0  0
 30  4  1  0  0  0  0
 30 20  2  0  0  0  0
 30 22  1  0  0  0  0
 31  5  1  0  0  0  0
 32  6  1  0  0  0  0
 33 23  1  0  0  0  0
 33 31  2  0  0  0  0
 34 24  1  0  0  0  0
 34 32  2  0  0  0  0
 35 25  1  0  0  0  0
 36 26  1  0  0  0  0
 37 31  1  0  0  0  0
 37 35  1  0  0  0  0
 38 32  1  0  0  0  0
 38 36  1  0  0  0  0
 39  7  1  0  0  0  0
 39  8  1  0  0  0  0
 39 25  1  0  0  0  0
 39 33  1  0  0  0  0
 40  9  1  0  0  0  0
 40 10  1  0  0  0  0
 40 26  1  0  0  0  0
 40 34  1  0  0  0  0
 41 35  1  0  0  0  0
 42 36  1  0  0  0  0
 43 37  2  0  0  0  0
 44 38  2  0  0  0  0
M  END


  Mrv2104 05262313352D          

 44 45  0  0  0  0            999 V2000
   10.7171    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1855    7.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2461    7.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3908    2.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3302    2.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  3  0  0  0  0
 27  1  1  0  0  0  0
 27 15  2  0  0  0  0
 27 17  1  0  0  0  0
 28  2  1  0  0  0  0
 28 16  2  0  0  0  0
 28 18  1  0  0  0  0
 29  3  1  0  0  0  0
 29 19  2  0  0  0  0
 29 21  1  0  0  0  0
 30  4  1  0  0  0  0
 30 20  2  0  0  0  0
 30 22  1  0  0  0  0
 31  5  1  0  0  0  0
 32  6  1  0  0  0  0
 33 23  1  0  0  0  0
 33 31  2  0  0  0  0
 34 24  1  0  0  0  0
 34 32  2  0  0  0  0
 35 25  1  0  0  0  0
 36 26  1  0  0  0  0
 37 31  1  0  0  0  0
 37 35  1  0  0  0  0
 38 32  1  0  0  0  0
 38 36  1  0  0  0  0
 39  7  1  0  0  0  0
 39  8  1  0  0  0  0
 39 25  1  0  0  0  0
 39 33  1  0  0  0  0
 40  9  1  0  0  0  0
 40 10  1  0  0  0  0
 40 26  1  0  0  0  0
 40 34  1  0  0  0  0
 41 35  1  0  0  0  0
 42 36  1  0  0  0  0
 43 37  2  0  0  0  0
 44 38  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0337483

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)C#CC1=C(C)C(=O)C(O)CC1(C)C

> <INCHI_IDENTIFIER>
InChI=1/C40H50O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-21,23,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,27-15-,28-16+,29-19+,30-20-

> <INCHI_KEY>
BZQRJBLJDFPOBX-FOERLQQGNA-N

> <FORMULA>
C40H50O4

> <MOLECULAR_WEIGHT>
594.836

> <EXACT_MASS>
594.37091009

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
94

> <JCHEM_AVERAGE_POLARIZABILITY>
72.56679821749975

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-hydroxy-3-[(1E,3E,5E,7Z,9E,11E,13E,15Z)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-yn-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

> <JCHEM_LOGP>
7.9940108573333335

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.67038693828378

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.06830057715584

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5105688194131655

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
194.22740000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
6-hydroxy-3-[(1E,3E,5E,7Z,9E,11E,13E,15Z)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-yn-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0      20.005  16.170   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      17.338  10.010   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      14.671  16.170   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      18.672   3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.337   9.240   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      21.339   9.240   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.680  13.500   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.659  13.500   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      24.996   4.980   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      23.016   4.980   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      21.339  12.320   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      20.005  11.550   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      17.338  14.630   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      17.338   6.930   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      21.339  13.860   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      20.005  10.010   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      18.672  13.860   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      18.672   7.700   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      16.004  13.860   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      17.338   5.390   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.337  13.860   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      20.005   5.390   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      13.337  12.320   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      21.339   6.160   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.336  11.550   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      25.340   6.930   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      20.005  14.630   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      18.672   9.240   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      14.671  14.630   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      18.672   4.620   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      12.003  10.010   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      22.673   8.470   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      12.003  11.550   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      22.673   6.930   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.336  10.010   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      25.340   8.470   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      10.669   9.240   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      24.006   9.240   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      10.669  12.320   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      24.006   6.160   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       8.002   9.240   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      26.674   9.240   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      10.669   7.700   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      24.006  10.780   0.000  0.00  0.00           O+0
CONECT    1   27                                                            
CONECT    2   28                                                            
CONECT    3   29                                                            
CONECT    4   30                                                            
CONECT    5   31                                                            
CONECT    6   32                                                            
CONECT    7   39                                                            
CONECT    8   39                                                            
CONECT    9   40                                                            
CONECT   10   40                                                            
CONECT   11   12   15                                                       
CONECT   12   11   16                                                       
CONECT   13   17   19                                                       
CONECT   14   18   20                                                       
CONECT   15   11   27                                                       
CONECT   16   12   28                                                       
CONECT   17   13   27                                                       
CONECT   18   14   28                                                       
CONECT   19   13   29                                                       
CONECT   20   14   30                                                       
CONECT   21   23   29                                                       
CONECT   22   24   30                                                       
CONECT   23   21   33                                                       
CONECT   24   22   34                                                       
CONECT   25   35   39                                                       
CONECT   26   36   40                                                       
CONECT   27    1   15   17                                                  
CONECT   28    2   16   18                                                  
CONECT   29    3   19   21                                                  
CONECT   30    4   20   22                                                  
CONECT   31    5   33   37                                                  
CONECT   32    6   34   38                                                  
CONECT   33   23   31   39                                                  
CONECT   34   24   32   40                                                  
CONECT   35   25   37   41                                                  
CONECT   36   26   38   42                                                  
CONECT   37   31   35   43                                                  
CONECT   38   32   36   44                                                  
CONECT   39    7    8   25   33                                             
CONECT   40    9   10   26   34                                             
CONECT   41   35                                                            
CONECT   42   36                                                            
CONECT   43   37                                                            
CONECT   44   38                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₅₀O₄

Average Mass

594.8360 Da

Monoisotopic Mass

594.37091 Da

IUPAC Name

6-hydroxy-3-[(1E,3E,5E,7Z,9E,11E,13E,15Z)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-yn-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

Traditional Name

6-hydroxy-3-[(1E,3E,5E,7Z,9E,11E,13E,15Z)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-yn-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

CAS Registry Number

Not Available

SMILES

C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)C#CC1=C(C)C(=O)C(O)CC1(C)C

InChI Identifier

InChI=1/C40H50O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-21,23,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,27-15-,28-16+,29-19+,30-20-

InChI Key

BZQRJBLJDFPOBX-FOERLQQGNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

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	7.99	ChemAxon
pKa (Strongest Acidic)	13.07	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	74.6 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	194.23 m³·mol⁻¹	ChemAxon
Polarizability	72.57 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

Not Available

References

General References

Not Available

Showing NP-Card for 7,8-Dehydroastaxanthianthin (NP0337483)

MOL for NP0337483 (7,8-Dehydroastaxanthianthin)

3D MOL for NP0337483 (7,8-Dehydroastaxanthianthin)

3D SDF for NP0337483 (7,8-Dehydroastaxanthianthin)

3D-SDF for NP0337483 (7,8-Dehydroastaxanthianthin)

PDB for NP0337483 (7,8-Dehydroastaxanthianthin)

3D PDB for NP0337483 (7,8-Dehydroastaxanthianthin)

SMILES for NP0337483 (7,8-Dehydroastaxanthianthin)

INCHI for NP0337483 (7,8-Dehydroastaxanthianthin)

Structure for NP0337483 (7,8-Dehydroastaxanthianthin)

3D Structure for NP0337483 (7,8-Dehydroastaxanthianthin)