Details of Natural Product (NP)

General Information of Natural Product (ID: NP0344)
  Natural Product Name
Benzylacetone
  Synonyms
BENZYLACETONE; 4-Phenylbutan-2-one; 2550-26-7; 4-Phenyl-2-butanone; 2-Butanone, 4-phenyl-; 4-Penylbutan-2-one; 1-Phenyl-3-butanone; Methyl phenethyl ketone; Methyl 2-phenylethyl ketone; Benzyl acetone; Phenethyl methyl ketone; 4-Phenyl-butan-2-one; Methyl phenylethyl ketone; NSC 813; UNII-UZM5QH16YW; NSC 44829; MFCD00008790; UZM5QH16YW; DSSTox_CID_13241; DSSTox_RID_79056; DSSTox_GSID_33241; beta-Phenylethyl methyl ketone; CAS-2550-26-7; EINECS 219-847-4; BRN 1907123; AI3-15123; 4-phenylbutanone; 1-phenylbutan-3-one; EC 219-847-4; 2-Phenylethyl methyl ketone; SCHEMBL1346; 4-07-00-00713 (Beilstein Handbook Reference); MLS001055395; 4-Phenyl-2-butanone, 98%; NSC813; QSPL 147; CHEMBL1490851; DTXSID6033241; .beta.-Phenylethyl methyl ketone; NSC-813; HMS2270M10; NSC44829; ZINC1587606; Tox21_201240; Tox21_303341; BBL011439; NSC-44829; s9376; STL146547; AKOS000119009; CCG-266189; CS-W016332; HY-W015616; LS10597; MCULE-1136231603; SB40570; NCGC00090923-01; NCGC00090923-02; NCGC00257254-01; NCGC00258792-01; 4-Phenyl-2-butanone, analytical standard; AS-54099; SMR000112390; SY013502; B0405; FT-0619392; A25848; P17497; Q410405; W-107235; F0001-0855; 1-BOC-2-[(2-METHOXY-ETHYLAMINO)-METHYL]-PIPERIDINE; 1-Phenyl-3-butanone;2-Butanone, 4-phenyl-;4-Phenyl-2-butanoine
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  Formula C10H12O
  Weight 148.2
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
  InChI Key AKGGYBADQZYZPD-UHFFFAOYSA-N
  Isomeric SMILES CC(=O)CCC1=CC=CC=C1
  Canonical SMILES CC(=O)CCC1=CC=CC=C1
  External Links PubChem ID 17355
CAS ID 2550-26-7
NPASS ID NPC74458
CHEMBL ID CHEMBL1490851
  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
 
Naturally infected plants (C. globosum or F. oxysporum)
 Wood chips India
NP Content: 0.4 %
      Species Name: Thymus pseudopulegioides
  Factor Name: Locality Variation [2]
              Species Info Factor Info
               Experiment Detail
Plant materials were collected from the following localities in north western Turkey. A = Trabzon: Caykara, Soganli dag on July 28, 1994; B = Bayburt: Caykara, Mohakambo yaylasi on July 25, 1994; C = Trabzon: Koprubasi, Vizara yaylasi on July 20, 1994.
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               Factor Function
One hundred and four compounds were identified representing 97.5-99.5% of the total components detected in thymol/carvacrol (50.14/10.67%), thymol/linalool (23.14/20.24%) and linalool/alpha-terpinyl acetate/geraniol (21.55/16.70/11.17%) rich oils.
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               Factor Part Location NP Content
 
Locality: Soganli dag, Caykara, Trabzon, Eskisehir, Turkey
 Aerial parts Eskisehir, Turkey
NP Content: 0.1 %
References
1 Essential Oil of Eaglewood Tree: a Product of Pathogenesis
2 Composition of the Essential Oil of Thymus pseudopulegioides Klokov et Des.-Shost from Turkey