Details of Natural Product (NP)

General Information of Natural Product (ID: NP0240)
  Natural Product Name
Valeric Acid
  Synonyms
Valeric acid; PENTANOIC ACID; n-Valeric acid; 109-52-4; n-Pentanoic acid; Valerianic acid; Propylacetic acid; 1-Butanecarboxylic acid; Butanecarboxylic acid; pentoic acid; Kyselina valerova; VALERIC ACID, N-; Valeric acid, normal; n-Pentanoate; Kyselina valerova [Czech]; Valerate; Valeriansaeure; n-Valerate; UNII-GZK92PJM7B; 1-pentanoic acid; NSC 406833; n-C4H9COOH; MFCD00004413; GZK92PJM7B; CH3-[CH2]3-COOH; CHEBI:17418; NCGC00183281-01; C5:0; DSSTox_CID_1655; DSSTox_RID_76267; DSSTox_GSID_21655; 64118-37-2; VALERICACID; CAS-109-52-4; SHF; FEMA No. 3101; HSDB 5390; Butane-1-carboxylic acid; EINECS 203-677-2; BRN 0969454; pentoate; Propylacetate; Valerianate; Valeriansaure; AI3-08657; Butanecarboxylate; 1-pentanoate; 1ylv; 1-Butanecarboxylate; Valeric acid normal; n-BuCOOH; 1173023-05-6; Valeric acid, 99%; Valeric acid, >=99%; bmse000345; EC 203-677-2; Pentanoic acid Valeric acid; SCHEMBL5886; WLN: QV4; 4-02-00-00868 (Beilstein Handbook Reference); MLS001066335; Pentanoic Acid (Valeric Acid); CHEMBL268736; GTPL1061; DTXSID7021655; Valeric acid ( Pentanoic acid ); Valeric acid, analytical standard; HMS2267A03; Valeric acid-[3,4,5-13C3]; HY-N6056; Tox21_113414; Tox21_201561; Tox21_303030; LMFA01010005; NSC406833; STL169350; Valeric acid, >=99%, FCC, FG; ZINC31500905; AKOS000118960; DB02406; MCULE-2333640078; NSC-406833; NCGC00183281-02; NCGC00183281-03; NCGC00256597-01; NCGC00259110-01; BS-42203; I841; SMR000471834; CS-0032261; FT-0651620; FT-0694066; Valeric acid, pharmaceutical impurity standard; C00803; Q407796; J-002298; F2191-0105; Z955123768
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  Formula C5H10O2
  Weight 102.13
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
  InChI Key NQPDZGIKBAWPEJ-UHFFFAOYSA-N
  Isomeric SMILES CCCCC(=O)O
  Canonical SMILES CCCCC(=O)O
  External Links PubChem ID 7991
CAS ID 109-52-4
NPASS ID NPC174368
CHEMBL ID CHEMBL268736
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Aquilaria agallocha
  Factor Name: Plant Pathogen Infection [1]
              Species Info Factor Info
               Experiment Detail
Artificial inoculation of fungal isolates: The most frequently isolated fungi from infected agarwood (e.g. Chaetomium globosum and Fusarium oxysporum) were inoculated to the healthy plants by artifi cial boring on to the plants. Inoculation was made with two different fungi alone and in their combination. Observations were made at an interval of 30 days after inoculation.
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               Factor Function
This investigation showed a marked difference in the oil compositions among the treatments with regards to their quality. Valerianol (3.0%) and tetradec-anioc acid (7.1%) contents were recorded higher in the oils of naturally infected plants than in that of healthy ones (0.1% and 6.9%, respectively). Pentadecenoic acid was totally absent in the oils of healthy, whereas it was found in a greater amount (6.8%) in the oil of naturally infected plants. In contrast, dodecanoic acid (3.1%), pentadecanoic acid (6.2%), hexadecanoic acid (31.5%) and octadecanoic acid (4.1%) were found in a higher amount in the oils of healthy plants, while the oils obtained from naturally infected plants contained lower amounts of these components (2.5%, 4.8%, 20.0% and 1.0%, respectively). The oils obtained from the inoculated plants showed almost similar distribution of the components with healthy plants.
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               Factor Part Location NP Content
 
Healthy plants
 Wood chips India
NP Content: trace %
 
Naturally infected plants (C. globosum or F. oxysporum)
 Wood chips India
NP Content: 0.7 %
 
Artificial inoculation plants (Chaetomium globosum)
 Wood chips India
NP Content: trace %
 
Artificial inoculation plants (Fusarium oxysporum)
 Wood chips India
NP Content: trace %
      Species Name: Vitis vinifera
  Factor Name: Variety Comparison [2]
              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: < 0.05 %
 
Vitis vinifera var. Nero d'Avola
 Stalks Italy
NP Content: 0.45 %
References
1 Essential Oil of Eaglewood Tree: a Product of Pathogenesis
2 Volatile components of grape pomaces from different cultivars of Sicilian Vitis vinifera L.