NP-MRD: Showing NP-Card for 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] (NP0336114)

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Record Information

Version

2.0

Created at

2024-09-11 04:48:25 UTC

Updated at

2024-10-10 13:25:14 UTC

NP-MRD ID

NP0336114

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside]

Description

3B,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Based on a literature review very few articles have been published on 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside].

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262307202D          

 38 40  0  0  0  0            999 V2000
   -1.8224  -10.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2027   -7.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8170   -9.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0541   -9.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0467   -8.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5316   -8.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8503  -11.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2239  -10.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5986   -3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5887   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3693   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6229  -10.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3822   -7.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6508  -11.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0835   -4.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9040   -4.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3889   -5.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0533   -5.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2329   -6.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9965   -9.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1960   -9.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3957   -0.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8782  -12.0533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2395   -3.8173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2094   -5.1522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5383   -6.6595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4888   -1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4847   -0.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5121   -9.2129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9341   -3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242   -2.5687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8973   -6.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7479   -5.4109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2262   -8.3393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9929   -8.2366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  2  0  0  0  0
 12  1  1  0  0  0  0
 12  7  2  0  0  0  0
 13  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22  3  1  0  0  0  0
 22  4  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 23 11  1  0  0  0  0
 23 19  1  0  0  0  0
 24  6  1  0  0  0  0
 24 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 10  1  0  0  0  0
 26 14  1  0  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 31 23  1  0  0  0  0
 32 24  1  0  0  0  0
 33  9  1  0  0  0  0
 33 21  1  0  0  0  0
 34 11  1  0  0  0  0
 34 21  1  0  0  0  0
 35 13  1  0  0  0  0
 35 20  1  0  0  0  0
 36 15  1  0  0  0  0
 36 20  1  0  0  0  0
 37  5  1  0  0  0  0
 38  6  1  0  0  0  0
M  END


  Mrv2104 05262307202D          

 38 40  0  0  0  0            999 V2000
   -1.8224  -10.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2027   -7.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8170   -9.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0541   -9.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0467   -8.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5316   -8.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8503  -11.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2239  -10.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5986   -3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5887   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3693   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6229  -10.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3822   -7.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6508  -11.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0835   -4.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9040   -4.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3889   -5.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0533   -5.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2329   -6.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9965   -9.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1960   -9.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3957   -0.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8782  -12.0533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2395   -3.8173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2094   -5.1522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5383   -6.6595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4888   -1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4847   -0.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5121   -9.2129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9341   -3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242   -2.5687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8973   -6.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7479   -5.4109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2262   -8.3393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9929   -8.2366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  2  0  0  0  0
 12  1  1  0  0  0  0
 12  7  2  0  0  0  0
 13  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22  3  1  0  0  0  0
 22  4  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 23 11  1  0  0  0  0
 23 19  1  0  0  0  0
 24  6  1  0  0  0  0
 24 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 10  1  0  0  0  0
 26 14  1  0  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 31 23  1  0  0  0  0
 32 24  1  0  0  0  0
 33  9  1  0  0  0  0
 33 21  1  0  0  0  0
 34 11  1  0  0  0  0
 34 21  1  0  0  0  0
 35 13  1  0  0  0  0
 35 20  1  0  0  0  0
 36 15  1  0  0  0  0
 36 20  1  0  0  0  0
 37  5  1  0  0  0  0
 38  6  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0336114

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]\C(C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)=C(\[H])C1(O)C(C)=CC(O)CC1(C)C

> <INCHI_IDENTIFIER>
InChI=1/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13-21,25-32H,8-11H2,1-4H3/b6-5+

> <INCHI_KEY>
FCEJNLVNFSUDTK-AATRIKPKNA-N

> <FORMULA>
C24H40O12

> <MOLECULAR_WEIGHT>
520.572

> <EXACT_MASS>
520.251976728

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
53.56667466036501

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[(3E)-4-(1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]oxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

> <JCHEM_LOGP>
-2.039674158666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.294157386266379

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.696934697994456

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8636614902951587

> <JCHEM_POLAR_SURFACE_AREA>
198.75999999999996

> <JCHEM_REFRACTIVITY>
124.90809999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-{[(3E)-4-(1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]oxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

> <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      -3.402 -18.794   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.845 -13.838   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.992 -18.270   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -7.568 -16.895   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.687 -15.406   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.592 -16.652   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.321 -20.647   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -7.885 -19.911   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.851  -7.448   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.832  -1.281   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.556  -3.330   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.896 -19.166   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.313 -13.999   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.815 -21.019   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.756  -8.693   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -7.287  -8.533   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -8.193  -9.778   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -7.566 -11.185   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.048  -3.330   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -6.035 -11.346   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.572  -4.795   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -7.460 -18.431   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -3.802  -2.425   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -5.966 -18.059   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -6.339  -1.601   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -7.239 -22.499   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -7.914  -7.126   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -9.724  -9.617   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -8.471 -12.431   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -6.512  -2.854   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -2.771  -1.281   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -4.689 -17.197   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -5.477  -6.041   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -3.032  -4.795   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -5.408 -12.753   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -5.129 -10.100   0.000  0.00  0.00           O+0
HETATM   37  H   UNK     0      -4.156 -15.567   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0      -7.453 -15.375   0.000  0.00  0.00           H+0
CONECT    1   12                                                            
CONECT    2   13                                                            
CONECT    3   22                                                            
CONECT    4   22                                                            
CONECT    5    6   13   37                                                  
CONECT    6    5   24   38                                                  
CONECT    7   12   14                                                       
CONECT    8   14   22                                                       
CONECT    9   15   33                                                       
CONECT   10   23   25                                                       
CONECT   11   23   34                                                       
CONECT   12    1    7   24                                                  
CONECT   13    2    5   35                                                  
CONECT   14    7    8   26                                                  
CONECT   15    9   16   36                                                  
CONECT   16   15   17   27                                                  
CONECT   17   16   18   28                                                  
CONECT   18   17   20   29                                                  
CONECT   19   21   23   30                                                  
CONECT   20   18   35   36                                                  
CONECT   21   19   33   34                                                  
CONECT   22    3    4    8   24                                             
CONECT   23   10   11   19   31                                             
CONECT   24    6   12   22   32                                             
CONECT   25   10                                                            
CONECT   26   14                                                            
CONECT   27   16                                                            
CONECT   28   17                                                            
CONECT   29   18                                                            
CONECT   30   19                                                            
CONECT   31   23                                                            
CONECT   32   24                                                            
CONECT   33    9   21                                                       
CONECT   34   11   21                                                       
CONECT   35   13   20                                                       
CONECT   36   15   20                                                       
CONECT   37    5                                                            
CONECT   38    6                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   80    0
END

View in JSmol

Synonyms

Value	Source
3b,6a-Dihydroxy-a-ionol 9-[apiosyl-(1->6)-glucoside]	Generator
3b,6a-Dihydroxy-α-ionol 9-[apiosyl-(1->6)-glucoside]	Generator

Chemical Formula

C₂₄H₄₀O₁₂

Average Mass

520.5720 Da

Monoisotopic Mass

520.25198 Da

IUPAC Name

2-{[(3E)-4-(1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]oxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

Traditional Name

2-{[(3E)-4-(1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]oxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

[H]\C(C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)=C(\[H])C1(O)C(C)=CC(O)CC1(C)C

InChI Identifier

InChI=1/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13-21,25-32H,8-11H2,1-4H3/b6-5+

InChI Key

FCEJNLVNFSUDTK-AATRIKPKNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

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 fatty acyl glycosides of mono- and disaccharides. These are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Fatty acyl glycosides of mono- and disaccharides

Alternative Parents

Substituents

Fatty acyl glycoside of mono- or disaccharide
Sesquiterpenoid
Megastigmane sesquiterpenoid
Cyclofarsesane sesquiterpenoid
Ionone derivative
Alkyl glycoside
Disaccharide
Glycosyl compound
O-glycosyl compound
Oxane
Tetrahydrofuran
Tertiary alcohol
Secondary alcohol
Polyol
Oxacycle
Organoheterocyclic compound
Acetal
Primary alcohol
Organooxygen compound
Organic oxygen compound
Alcohol
Hydrocarbon derivative
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	-2	ChemAxon
pKa (Strongest Acidic)	11.7	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	198.76 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	124.91 m³·mol⁻¹	ChemAxon
Polarizability	53.57 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

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 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] (NP0336114)

MOL for NP0336114 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

3D MOL for NP0336114 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

3D SDF for NP0336114 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

3D-SDF for NP0336114 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

PDB for NP0336114 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

3D PDB for NP0336114 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

SMILES for NP0336114 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

INCHI for NP0336114 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

Structure for NP0336114 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

3D Structure for NP0336114 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])