NP-MRD: Showing NP-Card for Hexacosan-1-ol (NP0045584)

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Record Information

Version

2.0

Created at

2022-03-17 19:32:15 UTC

Updated at

2022-03-17 19:32:16 UTC

NP-MRD ID

NP0045584

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Hexacosan-1-ol

Description

Hexacosan-1-ol, also known as 1-hexacosanol or ceryl alcohol, belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, hexacosan-1-ol is considered to be a fatty alcohol lipid molecule. Hexacosan-1-ol is found in Achillea biebersteinii, Ailanthus altissima, Amaranthus tricolor, Andrachne telephioides, Artemisia annua, Azadirachta indica, Bocconia latisepala, Bombax ceiba, Brassica oleracea , Calamagrostis arundinacea, Calendula officinalis, Cassia fistula, Cassia javanica, Ceanothus velutinus, Chamaecrista pumila, Chrysactinia mexicana, Clematis vitalba, Convolvulus arvensis, Convolvulus prostratus, Copernicia prunifera, Coscinium fenestratum, Crataegus monogyna, Dactylis glomerata , Diospyros ebenum, Diospyros malabarica, Diospyros melanoxylon, Diploknema butyracea, Echinosophora koreensis, Erythrina mildbraedii, Eugenia uniflora, Euphorbia corollata, Euphorbia esula, Euphorbia piscatoria, Euphorbia polygonifolia, Euphorbia pseudocactus, Festuca argentina, Ficus macrophylla, Ficus pandurata, Gmelina arborea, Gossypium hirsutum, Gynura japonica, Haplopappus foliosus, Helinus integrifolius, Hibiscus cannabinus, Holoptelea integrifolia, Hypericum perforatum, Ipomoea carnea, Ixeris chinensis, Ixeris japonica, Jasminum azoricum, Lactuca saligna, Lathyrus davidii, Leucophyllum frutescens, Lonicera quinquelocularis, Dolichandra unguis-cati, Madhuca longifolia, Mallotus metcalfianus, Mirabilis jalapa, Mollinedia marliae, Peganum harmala, Cryptolepis nigrescens, Phormium tenax, Platycladus orientalis, Poa huecu, Populus alba, Populus tremuloides, Prosopis glandulosa, Prunus laurocerasus, Prunus serotina, Pyrus pashia, Sidera lenis, Sonchus asper, Suaeda nudiflora, Tacca plantaginea, Thinopyrum ponticum, Tortella inclinata, Tragopogon orientalis, Triticum aestivum , Triticum turgidum, Trochodendron aralioides and Ziziphus spina-christi. Hexacosan-1-ol was first documented in 2003 (PMID: 12916085). Hexacosan-1-ol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral (PMID: 21485271) (PMID: 15814229) (PMID: 18000340) (PMID: 18404565) (PMID: 19731141).

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02241221342D          

 27 26  0  0  0  0            999 V2000
   14.1355   -8.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5645   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9934   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7079   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4224   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1368   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8513   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5658   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2802   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9947   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7092   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1381   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5671   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2815   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9960   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7105   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4249   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1394   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8539   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5684   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2828   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9973   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7118   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 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
M  END


  Mrv0541 02241221342D          

 27 26  0  0  0  0            999 V2000
   14.1355   -8.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5645   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9934   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7079   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4224   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1368   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8513   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5658   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2802   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9947   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7092   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1381   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5671   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2815   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9960   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7105   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4249   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1394   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8539   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5684   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2828   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9973   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7118   -8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 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
M  END
> <DATABASE_ID>
NP0045584

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCO

> <INCHI_IDENTIFIER>
InChI=1S/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3

> <INCHI_KEY>
IRHTZOCLLONTOC-UHFFFAOYSA-N

> <FORMULA>
C26H54O

> <MOLECULAR_WEIGHT>
382.7064

> <EXACT_MASS>
382.41746635

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
55.84958620564332

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexacosan-1-ol

> <ALOGPS_LOGP>
9.98

> <JCHEM_LOGP>
10.585832576000001

> <ALOGPS_LOGS>
-7.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.84394282199214

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9922594096606376

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
123.35689999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
24

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.37e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ceryl alcohol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0      26.386 -16.774   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      27.720 -16.004   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      29.054 -16.774   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      30.387 -16.004   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      31.721 -16.774   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      33.055 -16.004   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      34.388 -16.774   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      35.722 -16.004   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      37.056 -16.774   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      38.389 -16.004   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      39.723 -16.774   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      41.057 -16.004   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      42.391 -16.774   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      43.724 -16.004   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      45.058 -16.774   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      46.392 -16.004   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      47.725 -16.774   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      49.059 -16.004   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      50.393 -16.774   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      51.726 -16.004   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      53.060 -16.774   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      54.394 -16.004   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      55.727 -16.774   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      57.061 -16.004   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      58.395 -16.774   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      59.728 -16.004   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      61.062 -16.774   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   52    0
END

View in JSmol

Synonyms

Value	Source
1-Hexacosanol	ChEBI
Ceryl alcohol	ChEBI
Cerylic alcohol	ChEBI
Hexacosyl alcohol	ChEBI
N-Hexacosanol	ChEBI
1-Hexacosanol, aluminum (1:3) salt	MeSH

Chemical Formula

C₂₆H₅₄O

Average Mass

382.7064 Da

Monoisotopic Mass

382.41747 Da

IUPAC Name

hexacosan-1-ol

Traditional Name

ceryl alcohol

CAS Registry Number

506-52-5

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCO

InChI Identifier

InChI=1S/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3

InChI Key

IRHTZOCLLONTOC-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 90 MHz, CDCl₃, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50.18 MHz, CDCl₃, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

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
Achillea biebersteinii	LOTUS Database	35616633
Ailanthus altissima	LOTUS Database	35616633
Amaranthus tricolor	LOTUS Database	35616633
Andrachne telephioides	LOTUS Database	35616633
Artemisia annua	LOTUS Database	35616633
Azadirachta indica	LOTUS Database	35616633
Bocconia latisepala	LOTUS Database	35616633
Bombax ceiba	LOTUS Database	35616633
Brassica juncea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica oleracea	Plant	KNApSAcK
Brassica oleracea var. botrytis	FooDB	KNAPSACK
Brassica oleracea var. capitata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica oleracea var. gemmifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica oleracea var. italica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Calamagrostis arundinacea	LOTUS Database	35616633
Calendula officinalis	LOTUS Database	35616633
Cassia fistula	LOTUS Database	35616633
Cassia javanica	LOTUS Database	35616633
Ceanothus velutinus	LOTUS Database	35616633
Chamaecrista pumila	LOTUS Database	35616633
Chrysactinia mexicana	LOTUS Database	35616633
Cichorium intybus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Clematis vitalba	LOTUS Database	35616633
Convolvulus arvensis	LOTUS Database	35616633
Convolvulus prostratus	LOTUS Database	35616633
Copernicia prunifera	Plant	KNApSAcK
Coscinium fenestratum	LOTUS Database	35616633
Crataegus monogyna	LOTUS Database	35616633
Cucumis melo	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cymbopogon citratus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Dactylis glomerata	Plant	KNApSAcK
Diospyros ebenum	LOTUS Database	35616633
Diospyros malabarica	LOTUS Database	35616633
Diospyros melanoxylon	LOTUS Database	35616633
Diploknema butyracea	LOTUS Database	35616633
Echinosophora koreensis	LOTUS Database	35616633
Eriobotrya japonica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Erythrina mildbraedii	LOTUS Database	35616633
Eugenia uniflora	LOTUS Database	35616633
Euphorbia corollata	LOTUS Database	35616633
Euphorbia esula	LOTUS Database	35616633
Euphorbia piscatoria	LOTUS Database	35616633
Euphorbia polygonifolia	LOTUS Database	35616633
Euphorbia pseudocactus	LOTUS Database	35616633
Festuca argentina	LOTUS Database	35616633
Ficus macrophylla	LOTUS Database	35616633
Ficus pandurata	LOTUS Database	35616633
Foeniculum vulgare	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ginkgo biloba	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Gmelina arborea	LOTUS Database	35616633
Gossypium	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Gossypium hirsutum	LOTUS Database	35616633
Gynura japonica	LOTUS Database	35616633
Haplopappus foliosus	LOTUS Database	35616633
Helinus integrifolius	LOTUS Database	35616633
Hibiscus cannabinus	LOTUS Database	35616633
Holoptelea integrifolia	LOTUS Database	35616633
Hordeum vulgare	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Hypericum perforatum	LOTUS Database	35616633
Ipomoea carnea	LOTUS Database	35616633
Ixeris chinensis	LOTUS Database	35616633
Ixeris japonica	LOTUS Database	35616633
Jasminum azoricum L.	LOTUS Database	35616633
Lactuca saligna L.	LOTUS Database	35616633
Lactuca sativa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lathyrus davidii	LOTUS Database	35616633
Leucophyllum frutescens	LOTUS Database	35616633
Linum usitatissimum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lonicera quinquelocularis	Plant	KNApSAcK
Macfadyena unguis-cati	LOTUS Database	35616633
Madhuca longifolia	LOTUS Database	35616633
Mallotus metcalfianus	LOTUS Database	35616633
Malus pumila	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Mirabilis jalapa	LOTUS Database	35616633
Mollinedia marliae	Plant	KNApSAcK
Nelumbo nucifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Peganum harmala	LOTUS Database	35616633
Periploca nigrescens	LOTUS Database	35616633
Phormium tenax	LOTUS Database	35616633
Platycladus orientalis	LOTUS Database	35616633
Poa huecu	LOTUS Database	35616633
Populus alba	LOTUS Database	35616633
Populus tremuloides	LOTUS Database	35616633
Prosopis glandulosa	LOTUS Database	35616633
Prunus avium	FooDB	KNAPSACK
Prunus laurocerasus	LOTUS Database	35616633
Prunus persica	FooDB	KNAPSACK
Prunus serotina	LOTUS Database	35616633
Pyrus pashia	LOTUS Database	35616633
Sambucus nigra	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sidera lenis	LOTUS Database	35616633
Solanum tuberosum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sonchus asper	LOTUS Database	35616633
Suaeda nudiflora	LOTUS Database	35616633
Tacca plantaginea	LOTUS Database	35616633
Taraxacum officinale	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Thinopyrum obtusiflorum	LOTUS Database	35616633
Tortella inclinata	LOTUS Database	35616633
Tragopogon orientalis	LOTUS Database	35616633
Triticum aestivum	Plant	KNApSAcK
Triticum turgidum	LOTUS Database	35616633
Trochodendron aralioides	LOTUS Database	35616633
Vaccinium myrtillus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ziziphus spina-christi	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohols

Direct Parent

Fatty alcohols

Alternative Parents

Substituents

Fatty alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

long-chain primary fatty alcohol (CHEBI:28415 )
fatty alcohol 26:0 (CHEBI:28415 )
Fatty alcohols (LMFA05000002 )
a long-chain alcohol (CPD-7871 )
a primary alcohol (CPD-7871 )
a fatty alcohol (CPD-7871 )

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	9.98	ALOGPS
logP	10.59	ChemAxon
logS	-7.4	ALOGPS
pKa (Strongest Acidic)	16.84	ChemAxon
pKa (Strongest Basic)	-2	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	24	ChemAxon
Refractivity	123.36 m³·mol⁻¹	ChemAxon
Polarizability	55.85 Å³	ChemAxon
Number of Rings	0	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

FDB001482

KNApSAcK ID

C00001255

Chemspider ID

Not Available

KEGG Compound ID

C08381

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

1-Hexacosanol

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

28415

Good Scents ID

Not Available

References

General References

Shaari K, Zareen S, Akhtar MN, Lajis NH: Chemical constituents of Melicope ptelefolia. Nat Prod Commun. 2011 Mar;6(3):343-8. [PubMed:21485271 ]
Singh B, Singh S: Antimicrobial activity of terpenoids from Trichodesma amplexicaule Roth. Phytother Res. 2003 Aug;17(7):814-6. doi: 10.1002/ptr.1202. [PubMed:12916085 ]
El-Gibaly I, Abdel-Ghaffar SK: Effect of hexacosanol on the characteristics of novel sustained-release allopurinol solid lipospheres (SLS): factorial design application and product evaluation. Int J Pharm. 2005 Apr 27;294(1-2):33-51. doi: 10.1016/j.ijpharm.2004.12.027. [PubMed:15814229 ]
Narimatsu N, Saito M, Kazuyama E, Hisadome Y, Kinoshita Y, Satoh I, Okada S, Suzuki H, Yamada M, Satoh K: N-hexacosanol prevents diabetes-induced rat ileal dysfunction without qualitative alteration of the muscarinic receptor system. Biomed Res. 2007 Oct;28(5):267-73. doi: 10.2220/biomedres.28.267. [PubMed:18000340 ]
Abdel-Kader MS, Basudan OA, Parveen M, Amer ME: A new 3-arylcoumarin from the roots of an Egyptian collection of Lotus polyphyllos. Nat Prod Res. 2008 Mar 20;22(5):448-52. doi: 10.1080/14786410701591812. [PubMed:18404565 ]
Ramadan MA, Ahmad AS, Nafady AM, Mansour AI: Chemical composition of the stem bark and leaves of Ficus pandurata Hance. Nat Prod Res. 2009;23(13):1218-30. doi: 10.1080/14786410902757899. [PubMed:19731141 ]

Showing NP-Card for Hexacosan-1-ol (NP0045584)

MOL for NP0045584 (Hexacosan-1-ol)

3D MOL for NP0045584 (Hexacosan-1-ol)

3D SDF for NP0045584 (Hexacosan-1-ol)

3D-SDF for NP0045584 (Hexacosan-1-ol)

PDB for NP0045584 (Hexacosan-1-ol)

3D PDB for NP0045584 (Hexacosan-1-ol)

SMILES for NP0045584 (Hexacosan-1-ol)

INCHI for NP0045584 (Hexacosan-1-ol)

Structure for NP0045584 (Hexacosan-1-ol)

3D Structure for NP0045584 (Hexacosan-1-ol)