General Information of Natural Product (ID: NP0004)
  Natural Product Name
Hexadecane
  Synonyms
HEXADECANE; n-Hexadecane; 544-76-3; Cetane; n-Cetane; hexadecan; Hexadekan; Pentadecane, methyl-; Cetan; CCRIS 5833; Zetan; HSDB 6854; UNII-F8Z00SHP6Q; NSC 7334; EINECS 208-878-9; F8Z00SHP6Q; BRN 1736592; AI3-06522; MFCD00008998; CHEBI:45296; Hexadecane, analytical standard; CNS; Hexadecane, >=99%; DSSTox_CID_7195; EC 208-878-9; Hexadecane, p.a., 99%; DSSTox_RID_78343; DSSTox_GSID_27195; 4-01-00-00537 (Beilstein Handbook Reference); Hexadecane_RamanathanGurudeeban; CHEMBL134994; QSPL 025; QSPL 078; QSPL 116; DTXSID0027195; Hexadecane, anhydrous, >=99%; NSC7334; CH3-[CH2]14-CH3; Hexadecane, ReagentPlus(R), 99%; NSC-7334; Tox21_300485; LMFA11000577; STL453674; ZINC38141452; AKOS025212855; n-Hexadecane 10 microg/mL in Acetone; Hexadecane, purum, >=98.0% (GC); NCGC00164132-01; NCGC00164132-02; NCGC00254306-01; AS-56424; CAS-544-76-3; U573; DB-052582; Hexadecane, Vetec(TM) reagent grade, 98%; CS-0152222; FT-0632360; H0066; S0288; D97389; A830206; Q150843; 5166841B-BF92-4A7D-8CEF-0B01B374ED0E; UNII-1E5KJY107T component DCAYPVUWAIABOU-UHFFFAOYSA-N; UNII-A14OB1S7O2 component DCAYPVUWAIABOU-UHFFFAOYSA-N; UNII-CI87N1IM01 component DCAYPVUWAIABOU-UHFFFAOYSA-N; UNII-FW7807707B component DCAYPVUWAIABOU-UHFFFAOYSA-N; UNII-J3N6X3YK96 component DCAYPVUWAIABOU-UHFFFAOYSA-N
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  Formula C16H34
  Weight 226.44
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
  InChI Key DCAYPVUWAIABOU-UHFFFAOYSA-N
  Isomeric SMILES CCCCCCCCCCCCCCCC
  Canonical SMILES CCCCCCCCCCCCCCCC
  External Links PubChem ID 11006
CAS ID 544-76-3
NPASS ID NPC154477
CHEMBL ID CHEMBL134994
  NP Activity Charts   Click to show/hide

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Fritillaria imperialis
  Factor Name: Cultivar Comparison [1]
              Species Info Factor Info
               Experiment Detail
Plants of the F. imperialis cultivars Premier (very strong foxy odor) and Lutea (strong foxy odor), the F. imperialis subspecies Inodora (no odor), a cross between F. imperialis Lutea × Inodora (F1 generation, faint foxy odor) were grown from bulbs during the spring and early summer in clay soil near Midlum (Province of Friesland, The Netherlands). Bulbs, newly grown from these plants, were harvested in mid-June and stored, after removal of soil, at ambient temperature until analysis, which occurred in October and November.
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               Factor Function
GC-O revealed that the foxy odor was caused by a single component, identified as 3-methyl-2-butene-1-thiol on the basis of smell in GC-O analyses (two GC columns), mass spectra, and retention times. The abundance of 3-methyl-2-butene-1-thiol is consistent with the intensity of foxy Fritillaria odor in the F. imperialis cultivars: Premier > Lutea >> Lutea × Inodora, where the latter did not show a detectable peak in GC-MS.
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               Factor Part Location NP Content
 
Fritillaria imperialis cv. Inodora (no odor)
Flowers Netherlends
NP Content: 4.4 %
 
Fritillaria imperialis cv. Lutea × Inodora (faint foxy odor)
Flowers Netherlends
NP Content: 10 %
 
Fritillaria imperialis cv. Lutea (strong foxy odor)
Flowers Netherlends
NP Content: 3.8 %
 
Fritillaria imperialis cv. Premier (very strong foxy odor)
Flowers Netherlends
NP Content: 4.5 %
      Species Name: Helichrysum arenarium
  Factor Name: Locality Variation; Developmental Stage Variation [2]
              Species Info Factor Info
               Experiment Detail
The plant material was collected in eastern Lithuania (July-August, 2002). Numbers of growing localities of H. arenarium with yellow (Y) and orange (O) flowers were as follows: Svencionys district (Zalavas) and Ukmerge district (Sventupe).
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               Factor Function
The 68 constituents identified comprised 73.8-90.7% of the total oil content. It was found that the principal constituents were: beta-caryophyllene (in three inflorescence and one leaf oil), delta-cadinene (in two leaf oils), octadecane (in one leaf oil) and heneicosane (in one inflorescence sample). Monoterpenes and oxygenated monoterpenes made up 4.0-13.9%, aliphatic hydrocarbons 0.4-35.3%, and sesquiterpenes 24.7-71.2% of the oils.
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               Factor Part Location NP Content
 
Inflorescence: (Flower colour: Orange) + (Locality: Svencionys District, Eastern Lithuania)
Inflorescence Eastern Lithuania
NP Content: 0.3 %
 
Inflorescence: (Flower colour: Yellow) + (Locality: Svencionys District, Eastern Lithuania)
Inflorescence Eastern Lithuania
NP Content: 1.4 %
 
Leaf: (Flower colour: Orange) + (Locality: Svencionys District, Eastern Lithuania)
Leaves Eastern Lithuania
NP Content: 0.2 %
 
Leaf: (Flower colour: Yellow) + (Locality: Svencionys District, Eastern Lithuania)
Leaves Eastern Lithuania
NP Content: < 0.05 %
      Species Name: Porophyllum ruderale
  Factor Name: Harvest Time Variation [3]
              Species Info Factor Info
               Experiment Detail
Seeds of P. ruderale were collected from wild plants found on the campus of the Federal University of Vicosa, Minas Gerais state (Brazil), in September 2000. The seeds were cultivated in a greenhouse during the period of February to May 2001; 60 days after sowing, the leaves and flowers were collected at regular intervals of 15 days for the oil isolation.
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               Factor Function
The oil content found for the leaves of P. ruderale varied during the period of 60 to 120 days, as follows: 13.8 mg/100 g of fresh material after 60 days; 7.5 mg/100 g (75 days); 23.1 mg/100 g (90 days); 10.6 mg/100 g (105 days); 12.5 mg/100 g (120 days). The first floral buds were collected after 105 days of sowing, and its oil content was 45.1 mg/100 g of fresh material. A significant decrease in the production of oil from the buds was observed after 120 days of sowing, when only 23.0 mg oil/100 g of fresh material was obtained. During the period of 90 days to 105 days, a significant decrease in leaf oil content was observed, at the same time the plants were flowering. This data suggests the plants were relocating their resources to produce more oil in the floral buds.
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               Factor Part Location NP Content
 
Flower: (Harvesting time: after 120 days of sowing)
Flowers Minas Gerais state, Brazil
NP Content: 0.1 %
 
Leaf: (Harvesting time: after 60 days of sowing)
Leaves Minas Gerais state, Brazil
NP Content: 2.5 %
 
Leaf: (Harvesting time: after 105 days of sowing)
Leaves Minas Gerais state, Brazil
NP Content: 0.5 %
 
Leaf: (Harvesting time: after 120 days of sowing)
Leaves Minas Gerais state, Brazil
NP Content: 2.3 %
      Species Name: Rosa damascena
  Factor Name: Variety Comparison [4]
              Species Info Factor Info
               Experiment Detail
Experimental site: The present study was conducted at the experimental farm of the CSIR-Institute of Himalayan Bioresource Technology, Palampur (1325 m amsl, 32° 06′ 05″ N, 76° 34′10″ E), India, in 2011. Minimum temperature ranges from 3.5 ℃ to 19.8 ℃, maximum temperature ranges from 15.2 ℃ to 31.4 ℃, relative humidity varies between 62.2% and 94.1% in the morning and 45.0% and 87.2% in the evening, and bright sunshine hour ranges from 2.9 to 8.9 hours. Plant material: A population of approximately 50,000 plants raised from mixed stem cuttings collected from perennial rose plantations at the University of Agriculture, Udaipur, Rajasthan, India, and maintained in the field of the CSIR-Institute of Himalayan Bioresource Technology, Palampur, Himachal Pradesh, India, were utilized as an original gene pool of R. damascena. Two varieties, Jwala and Himroz were diversified through selections of desirable traits (morphological/oil content) across 25,000 plants. The five elites, three of R. damascena var. Jwala, (Indica, Super jwala and Jwala) and two of R. damascena var. Himroz (Hot himroz and Himroz) were developed through field selections and maintained at the Natural Plant Products Division Experimental Farm of the Institute. Rosa bourboniana plants were collected from the Fragrance and Flavour Development Centre, Kannauj, UP, India, during 1992 and maintained at the Natural Plant Products Division Experimental Farm of the Institute.
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               Factor Function
The essential oil content of the varieties of R. damascena varied from 0.037% to 0.051% and that of R. bourboniana was 0.017%. Super jwala recorded the highest oil content (0.051%). A total of 32 components were identified in the different varieties of rose oil. These components constituted 78.1-93.5% of the total rose oil species. The main components of rose oil were citronellol + nerol (16.3-30.1%), geraniol (15.8-29.3%), linalool (0.7-1.9%), rose oxide (0.9-2.6%), phenyl ethyl alcohol (0.1-0.4%), eugenol (0.3-2.2%), nonadecane (7.3-14.7%). The content of citronellol + nerol (30.1%) and geraniol (29.3%) was the highest in Himroz compared with other varieties.
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               Factor Part Location NP Content
 
Rosa damascena var. Himroz
Flowers India
NP Content: 0.1 %
 
Rosa damascena var. Hot Himroz
Flowers India
NP Content: 0.1 %
 
Rosa damascena var. Indica
Flowers India
NP Content: 0.2 %
 
Rosa damascena var. Jwala
Flowers India
NP Content: 0.1 %
 
Rosa damascena var. Super Jwala
Flowers India
NP Content: 0.1 %
References
1 Identification of the Volatile Component(s) Causing the Characteristic Foxy Odor in Various Cultivars of Fritillaria imperialis L. (Liliaceae)
2 Chemical Composition of the Essential Oils of Wild Helichrysum arenarium (L.) with Differently Colored Inflorescences from Eastern Lithuania
3 Essential Oil from Leaves and Flowers of Porophyllum ruderale (Jacq.) Cassini (Asteraceae)
4 Evaluation of several Rosa damascena varieties and Rosa bourboniana accession for essential oil content and composition in western Himalayas