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Showing NP-Card for Delcorine (NP0050782)

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Record Information
Version2.0
Created at2022-04-27 22:06:42 UTC
Updated at2022-04-27 22:06:43 UTC
NP-MRD IDNP0050782
Secondary Accession NumbersNone
Natural Product Identification
Common NameDelcorine
DescriptionZINC30726617 belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom. Delcorine is found in Delphinium anthriscifolium, Delphinium anthriscifolium var.savatieri, Delphinium corumbosum, Delphinium corymbosum Rgl., Delphinium elatum and Delphinium uralense. Based on a literature review very few articles have been published on ZINC30726617.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0050782 (Delcorine)


  Mrv1652304282200062D          

 34 40  0  0  1  0            999 V2000
   -0.0186    0.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7437   -0.0456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4332   -0.4401    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0922   -0.5389    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3160    0.3130    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8215    0.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0080    0.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1258    0.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3942    1.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913   -0.1267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3660   -0.6700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2905   -1.5247    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3501   -1.7469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3312   -1.3433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5094   -1.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7568   -1.5005    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7944   -1.5510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3557   -0.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4040   -2.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4206   -2.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3825   -2.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1404   -2.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6469   -2.3120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1621   -1.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7669   -0.9991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4686   -0.1764    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9860    0.0867    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8281    0.8964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4504    1.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6126    0.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5719   -1.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8179   -1.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1266    1.0878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8889    1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  6  0  0  0
  8  9  1  0  0  0  0
  4 10  1  1  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  1  0  0  0
 13 16  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
  2 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 13 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 23  1  1  0  0  0
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 11 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 26 30  1  6  0  0  0
 10 30  1  6  0  0  0
 25 31  1  1  0  0  0
 31 32  1  0  0  0  0
  1 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
Download

3D MOL for NP0050782 (Delcorine)

Download
3D SDF for NP0050782 (Delcorine)

  Mrv1652304282200062D          

 34 40  0  0  1  0            999 V2000
   -0.0186    0.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7437   -0.0456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4332   -0.4401    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0922   -0.5389    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3160    0.3130    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8215    0.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0080    0.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1258    0.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3942    1.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913   -0.1267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3660   -0.6700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2905   -1.5247    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3501   -1.7469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3312   -1.3433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5094   -1.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7568   -1.5005    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7944   -1.5510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3557   -0.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4040   -2.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4206   -2.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3825   -2.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1404   -2.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6469   -2.3120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1621   -1.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7669   -0.9991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4686   -0.1764    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9860    0.0867    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8281    0.8964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4504    1.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6126    0.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5719   -1.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8179   -1.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1266    1.0878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8889    1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  6  0  0  0
  8  9  1  0  0  0  0
  4 10  1  1  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  1  0  0  0
 13 16  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
  2 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 13 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 23  1  1  0  0  0
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 11 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 26 30  1  6  0  0  0
 10 30  1  6  0  0  0
 25 31  1  1  0  0  0
 31 32  1  0  0  0  0
  1 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0050782

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@@]5(C[C@@H]6OC)OCO[C@]5([C@@H](O)[C@H]23)[C@@H]14

> <INCHI_IDENTIFIER>
InChI=1S/C26H41NO7/c1-6-27-11-23(12-29-2)8-7-17(31-4)25-15-9-14-16(30-3)10-24(18(15)19(14)32-5)26(22(25)27,34-13-33-24)21(28)20(23)25/h14-22,28H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22+,23+,24-,25+,26-/m1/s1

> <INCHI_KEY>
XTLROSDJDZHIIK-FQCWPTJPSA-N

> <FORMULA>
C26H41NO7

> <MOLECULAR_WEIGHT>
479.614

> <EXACT_MASS>
479.288302664

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
52.64627446906005

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,3R,4S,5R,6S,8R,12S,13S,16S,19S,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1^{2,5}.0^{1,13}.0^{3,8}.0^{8,12}.0^{16,20}]docosan-21-ol

> <ALOGPS_LOGP>
0.94

> <JCHEM_LOGP>
-0.21018111666666855

> <ALOGPS_LOGS>
-2.73

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.592060342279101

> <JCHEM_PKA_STRONGEST_BASIC>
9.520099731167344

> <JCHEM_POLAR_SURFACE_AREA>
78.85000000000002

> <JCHEM_REFRACTIVITY>
122.65789999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.03e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,3R,4S,5R,6S,8R,12S,13S,16S,19S,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1^{2,5}.0^{1,13}.0^{3,8}.0^{8,12}.0^{16,20}]docosan-21-ol

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0050782 (Delcorine)
Download
PDB for NP0050782 (Delcorine)
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      -0.035   0.504   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.388  -0.085   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.675  -0.822   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.905  -1.006   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.323   0.584   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.400   1.820   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.882   1.438   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       5.835   0.879   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       6.336   2.335   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.397  -0.237   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.283  -1.251   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.142  -2.846   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.387  -3.261   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.485  -2.507   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.951  -2.372   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       3.279  -2.801   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       1.483  -2.895   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       0.664  -1.505   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.754  -4.252   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.785  -4.299   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.447  -4.884   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.862  -5.509   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       6.808  -4.316   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       7.769  -2.985   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.898  -1.865   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.341  -0.329   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.441   0.162   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       7.146   1.673   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       8.307   2.684   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.743   0.878   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      10.401  -2.202   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      10.860  -3.672   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -0.236   2.031   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -1.659   2.619   0.000  0.00  0.00           C+0
CONECT    1    2   33                                                       
CONECT    2    1    3    7   18                                             
CONECT    3    2    4   14                                                  
CONECT    4    3    5   10   16                                             
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6    2                                                       
CONECT    8    5    9                                                       
CONECT    9    8                                                            
CONECT   10    4   11   30                                                  
CONECT   11   10   12   27                                                  
CONECT   12   11   13   23   24                                             
CONECT   13   12   14   16   21                                             
CONECT   14   13    3   15                                                  
CONECT   15   14                                                            
CONECT   16   13    4   17                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17    2                                                       
CONECT   19   17   20                                                       
CONECT   20   19                                                            
CONECT   21   13   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   12                                                       
CONECT   24   12   25                                                       
CONECT   25   24   26   31                                                  
CONECT   26   25   27   30                                                  
CONECT   27   26   11   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   26   10                                                       
CONECT   31   25   32                                                       
CONECT   32   31                                                            
CONECT   33    1   34                                                       
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   80    0
END

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3D PDB for NP0050782 (Delcorine)
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SMILES for NP0050782 (Delcorine)
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@@]5(C[C@@H]6OC)OCO[C@]5([C@@H](O)[C@H]23)[C@@H]14
Download
INCHI for NP0050782 (Delcorine)
InChI=1S/C26H41NO7/c1-6-27-11-23(12-29-2)8-7-17(31-4)25-15-9-14-16(30-3)10-24(18(15)19(14)32-5)26(22(25)27,34-13-33-24)21(28)20(23)25/h14-22,28H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22+,23+,24-,25+,26-/m1/s1
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SynonymsNot Available
Chemical FormulaC26H41NO7
Average Mass479.6140 Da
Monoisotopic Mass479.28830 Da
IUPAC Name(1S,2R,3R,4S,5R,6S,8R,12S,13S,16S,19S,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1^{2,5}.0^{1,13}.0^{3,8}.0^{8,12}.0^{16,20}]docosan-21-ol
Traditional Name(1S,2R,3R,4S,5R,6S,8R,12S,13S,16S,19S,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1^{2,5}.0^{1,13}.0^{3,8}.0^{8,12}.0^{16,20}]docosan-21-ol
CAS Registry NumberNot Available
SMILES
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@@]5(C[C@@H]6OC)OCO[C@]5([C@@H](O)[C@H]23)[C@@H]14
InChI Identifier
InChI=1S/C26H41NO7/c1-6-27-11-23(12-29-2)8-7-17(31-4)25-15-9-14-16(30-3)10-24(18(15)19(14)32-5)26(22(25)27,34-13-33-24)21(28)20(23)25/h14-22,28H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22+,23+,24-,25+,26-/m1/s1
InChI KeyXTLROSDJDZHIIK-FQCWPTJPSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Delphinium anthriscifoliumLOTUS Database
Delphinium anthriscifolium var.savatieriPlant
Delphinium corumbosumPlant
Delphinium corymbosum Rgl.Plant
Delphinium elatumLOTUS Database
Delphinium uralenseLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.
KingdomOrganic compounds  
Super ClassLipids and lipid-like molecules  
ClassPrenol lipids  
Sub ClassDiterpenoids  
Direct ParentAconitane-type diterpenoid alkaloids  
Alternative Parents
Substituents
  • Aconitane-type diterpenoid alkaloid
    • 

  • Quinolidine
    • 

  • Alkaloid or derivatives
    • 

  • Azepane
    • 

  • Piperidine
    • 

  • Meta-dioxolane
    • 

  • Cyclic alcohol
    • 

  • Tertiary aliphatic amine
    • 

  • Tertiary amine
    • 

  • Secondary alcohol
    • 

  • Organoheterocyclic compound
    • 

  • Azacycle
    • 

  • Oxacycle
    • 

  • Acetal
    • 

  • Dialkyl ether
    • 

  • Ether
    • 

  • Hydrocarbon derivative
    • 

  • Organonitrogen compound
    • 

  • Organooxygen compound
    • 

  • Organic oxygen compound
    • 

  • Organic nitrogen compound
    • 

  • Amine
    • 

  • Alcohol
    • 

  • Organopnictogen compound
    • 

  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.94ALOGPS
logP-0.21ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)13.59ChemAxon
pKa (Strongest Basic)9.52ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area78.85 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity122.66 m³·mol⁻¹ChemAxon
Polarizability52.65 ųChemAxon
Number of Rings7ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID62988260  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound101630689  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available