General Information of Natural Product (ID: NP0234)
  Natural Product Name
Heptanal
  Synonyms
Heptanal; Heptaldehyde; 111-71-7; Enanthaldehyde; n-Heptaldehyde; Enanthal; N-HEPTANAL; Heptyl aldehyde; Oenanthaldehyde; Heptanaldehyde; n-Heptylaldehyde; Oenanthal; Oenanthol; Enanthic aldehyde; Oenanthic aldehyde; Heptylaldehyde; Enanthole; Aldehyde C-7; 1-Heptanal; 1-Heptaldehyde; n-C6H13CHO; NSC 2190; heptan-1-al; UNII-92N104S3HF; CHEMBL18104; CHEBI:34787; 92N104S3HF; DSSTox_CID_1597; DSSTox_RID_76224; DSSTox_GSID_21597; Heptanal (natural); FEMA Number 2541; CAS-111-71-7; FEMA No. 2540; CCRIS 6041; HSDB 6026; EINECS 203-898-4; UN3056; BRN 1560236; Oenanthole; AI3-02066; MFCD00007028; Heptaldehyde, 95%; n-Heptaldehyde [UN3056] [Flammable liquid]; EC 203-898-4; WLN: VH6; SCHEMBL22542; BIDD:ER0302; DTXSID0021597; FEMA 2540; Heptaldehyde, analytical standard; NSC2190; Heptanal, >=95%, FCC, FG; NSC-2190; STR02180; ZINC1577197; Tox21_202173; Tox21_302779; 7790AF; BDBM50028829; LMFA06000001; STL453624; AKOS000121137; MCULE-5251820425; Heptaldehyde, technical, >=95% (GC); NCGC00091807-01; NCGC00091807-02; NCGC00256491-01; NCGC00259722-01; DB-041000; H0025; n-Heptaldehyde [UN3056] [Flammable liquid]; A802402; Q425827; J-002620; J-521429; F2190-0613
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  Formula C7H14O
  Weight 114.19
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
  InChI Key FXHGMKSSBGDXIY-UHFFFAOYSA-N
  Isomeric SMILES CCCCCCC=O
  Canonical SMILES CCCCCCC=O
  External Links PubChem ID 8130
CAS ID 111-71-7
NPASS ID NPC32279
CHEMBL ID CHEMBL18104
  NP Activity Charts   Click to show/hide

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Artemisia absinthium
  Factor Name: Chemotype Comparison [1]
              Species Info Factor Info
               Experiment Detail
Ten different plants of wormwood were collected in March 1997 from each one of the following four wild populations in the Spanish Pyrenees: Tallo de Aulet (prov. Huesca) and Pont de Suert, Sort and Farga de Moles (prov. Lleida). In three of the four populations studied, there was another chemotype, with 25-65% of cis-epoxyocimene and 15-50% of chrysanthenyl acetate. This chemotype, called chemotype B, was less frequent in the Pyrenees than the chemotype A, appearing only in 17% of the samples (two samples in TallO de Aulet and in Pont de Suert and three samples in Farga de Moles).
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               Factor Function
Two chemotypes were detected; a cis-epoxyocimene type (with more than 50% of this compound) which was predominant in all the populations, and a cis-epoxyocimene + chrysanthenyl acetate type (with 25-65% of cis-epoxyocimene and 15-50% of chrysanthenyl acetate). The distribution of these chemotypes had no relation with the altitude of the samples.
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               Factor Part Location NP Content
 
Chemotype (cis-epoxyocimene type)
Leaves Spain
NP Content: <0.03 %
      Species Name: Coriandrum sativum
  Factor Name: Locality Variation [2]
              Species Info Factor Info
               Experiment Detail
Two samples (20 kg each) of mature coriander (Coriandrum sativum L.) fruits were used for this study. The first was purchased from a spice market of Korba in Tunisia (Tn), the second, from Canada (Can), was supplied by General Herboristerie Laboratory (Marseille, France).
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               Factor Function
The first from Tunisia (Tn) and the second from Canada (Can). The highest essential oil yield was observed for Can with 0.44% (w/w) and 0.37% (w/w) for Tn. Forty-five compounds were identified in the essential oils and the main compound of both samples was linalool. The total phenol contents varied between two coriander fruit samples; Can sample presented high polyphenol contents (15.16 mg GAE/g) compared with Tn one (12.10 mg GAE/g). Significant differences were also found in total tannin contents among representing 0.7 mg GAE/g in Can and 0.34 mg GAE/g in Tn. The highest contents of total flavonoids were observed in Can sample with 13.2 mg CE/g.
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               Factor Part Location NP Content
 
Locality: Canada
Fruits Canada
NP Content: 0.6 %
 
Locality: Korba, Tunisia
Fruits Tunisia
NP Content: 0.3 %
      Species Name: Salvia euphratica
  Factor Name: Variety Comparison [3]
              Species Info Factor Info
               Experiment Detail
Aerial parts of both varieties(Salvia euphratica Montbret et Aucher ex Benth. var. euphratica and Salvia euphratica Montbret et Aucher ex Benth. var. leiocalycina) were collected in Malatya, Turkey in June 1999.
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               Factor Function
Ninety-five compounds in var. euphratica and 94 compounds in var. leiocalycina were characterized representing 93% and 95% of the total components detected, respectively, with 1,8-cineole (13.8% and 15.2%) and myrtenyl acetate (15.9% and 13.9%) as main constituents.
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               Factor Part Location NP Content
 
Salvia euphratica var. euphratica
Flowering aerial parts Turkey
NP Content: 0.1 %
 
Salvia euphratica var. leiocalycina
Flowering aerial parts Turkey
NP Content: 0.1 %
      Species Name: Vitis vinifera
  Factor Name: Variety Comparison [4]
              Species Info Factor Info
               Experiment Detail
Grape pomaces and stalks of Nero d'Avola and Frappato were donated by the ''Valle dell'Acate'' wine firm, Acate, RG, Italy - those from Nerello Mascalese and Cabernet Sauvignon were given by the ''Emanuele Scammacca Barone del Murgo'' wine firm, Santa Venerina, CT, Italy. The winemaking procedures were similar for all samples, namely grape clusters were crushed and destemmed using a destemmer-crusher. The crushed grapes were treated with sulphur dioxide (0.2-0.5% total mash) and with selected strains of Saccharomyces cerevisiae to start up the fermentation. After 6-8 days of maceration, when alcoholic fermentation was finished, the mash was pressed. Stalks coming from destemming procedure and grape pomace coming from the maceration procedure were subjected to the distillation procedures within 24 h of their collection. All materials were collected during the 2004 vintage.
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               Factor Function
On the whole, 38 components have been characterized in the samples of grape pomaces, with Frappato cv. showing the richest composition; instead, 88 components have been detected in the stalks of Frappato, Nero d'Avola, Nerello Mascalese and Cabernet Sauvignon varieties.
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               Factor Part Location NP Content
 
Vitis vinifera var. Cabernet Sauvignon
Stalks Italy
NP Content: 2.01 %
 
Vitis vinifera var. Frappato
Stalks Italy
NP Content: 0.43 %
 
Vitis vinifera var. Nerello Mascalese
Stalks Italy
NP Content: 1.22 %
 
Vitis vinifera var. Nero d'Avola
Stalks Italy
NP Content: < 0.05 %
      Species Name: Vitis vinifera cv. Pinot noir
  Factor Name: Drought Stress Treatment [5]
              Species Info Factor Info
               Experiment Detail
3-year old single shoot V. vinifera plants (cultivar Pinot noir 18 Gm grafted on Kober 5BB, 51 plants) potted in 3L pots in a sandy loam soil were used. All plants were well watered (200 mL per day) at the beginning of the experiment (04.06.2010; DAY 0; 5 plants) and water was supplied to all control plants once every day (250 mL per day), whereas water supply of stressed plants was stopped. Physiological measurements and sampling of leaves took place on 07.06.2010 (DAY 3; 5 control, 5 stressed plants), 10.06.2010 (DAY 6; 5 control, 5 stressed plants) and 12.06.2010 (DAY 8; 5 control, 10 stressed plants). Due to very hot weather conditions in June 2010 the experiment was stopped after 8 days and 12 available control plants were used to restart the drought treatment with 6 control and 6 stressed plants on 11.06.2010 and all plants were measured on 15.06.2010 (DAY 5). The mean leaf temperatures at midday were: 25 ℃ (04.06.2010; DAY 0), 31.9 ℃ (07.06.2010; DAY 3), 30.8 ℃ (15.06.2010; DAY 5), 35.8 ℃ (10.06.2010; DAY 6) and 35.7 ℃ (12.06.2010; DAY 8). The mean PAR radiation per day (measured from 6:00 am till 7:00 pm) was 144.1 µmol m-2 s-1. Each plant was used only once for physiological measurements and sampling of leaves.On every day of the experiment (day 0, 3, 5, 6, 8) the pot weight and the volumetric soil moisture content (ThetaProbe ML2x and handheld data logger Moisture Meter HH2, Delta-T Devices, Cambridge, United Kingdom) was recorded. The water potential (PWSC Model 3000, Soilmoisture Equipment Corporation, Santa Barbara, USA) was determined for the 6th leaf (representing the insertion level of the shoot from the basis) of every plant and measurement day. Chlorophyll fluorescence and gas exchange parameters of light adapted leaves were determined with the 4th and 5th leaf, whereas dark adaptation was performed only with the 5th leaf. Immediately after these non-invasive measurements, the 5th leaf was harvested, frozen in liquid nitrogen and further used for the measurement of polyphenols, selected primary metabolites and volatiles (VOCs).
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               Factor Function
The content of different groups of primary and secondary metabolites is significantly influenced by severe drought stress in grapevine leaves. The content of the majority of the metabolites (around 60% of primary metabolites, around 85% of polyphenols and about 40% of the detected and identified VOCs) increased upon drought stress treatment. Among these especially the primary metabolites citric acid and glyceric acid were strongly influenced by the short as well as the prolonged drought stress treatment, whereas all polyphenols were only induced upon the prolonged drought stress treatment.
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               Factor Part Location NP Content
 
Normal condition
Leaves Vienna, Austria
NP Content: 2542.1 ± 1470.2 peak areas
 
Dry 3-5 days
Leaves Vienna, Austria
NP Content: 2349.2 ± 1114.6 peak areas
 
Dry 6-8 days
Leaves Vienna, Austria
NP Content: 2959.4 ± 1979.0 peak areas
References
1 Essential Oil of Artemisia absinthium L. from the Spanish Pyrenees
2 Chemical Composition and Antioxidant Activities of Tunisian and Canadian Coriander (Coriandrum sativum L.) Fruit
3 The Essential Oils of Two Varieties of Salvia euphratica Montbret et Aucher ex Benth. var. euphratica and var. leiocalycina (Rech. fil.) Hedge from Turkey
4 Volatile components of grape pomaces from different cultivars of Sicilian Vitis vinifera L.
5 Severe drought stress is affecting selected primary metabolites, polyphenols, and volatile metabolites in grapevine leaves (Vitis vinifera cv. Pinot noir)