Details of Natural Product (NP)

General Information of Natural Product (ID: NP0728)
  Natural Product Name
Methyl Salicylate
  Synonyms
methyl salicylate; Methyl 2-hydroxybenzoate; 119-36-8; Wintergreen oil; Gaultheria oil; Betula oil; Teaberry oil; Sweet birch oil; OIL OF WINTERGREEN; Analgit; Spicewood Oil; 2-Carbomethoxyphenol; 2-Hydroxybenzoic acid methyl ester; Gaultheriaoel; Wintergruenoel; Flucarmit; Betula; Exagien; Natural Wintergreen Oil; Methyl o-hydroxybenzoate; 2-(Methoxycarbonyl)phenol; methylsalicylate; Betula Lenta; Salicylic acid, methyl ester; Benzoic acid, 2-hydroxy-, methyl ester; Synthetic Wintergreen Oil; Gaultheria oil, artificial; Wintergreen Oil, synthetic; Methyl2-Hydroxybenzoate; o-Hydroxybenzoic acid, methyl ester; Birch oil, sweet; Salicylic Acid Methyl Ester; MFCD00002214; FEMA No. 2745; NSC 8204; 2-Hydroxybenzoic acid, methyl ester; 68917-75-9; UNII-LAV5U5022Y; Metylester kyseliny salicylove; 2-Hydroxy-benzoic acid methyl ester; Benzoic acid, hydroxy-, methyl ester; LAV5U5022Y; CHEBI:31832; NSC-8204; 135952-76-0; NCGC00091106-02; DSSTox_CID_5659; DSSTox_RID_77872; DSSTox_GSID_25659; 68917-50-0; Caswell No. 577; Panalgesic; Theragesic; 2,4-Cyclohexadien-1-one,6-(hydroxymethoxymethylene)-(9CI); PredaLure; FEMA Number 2745; Anthrapole ND; Ben Gay; Methyl salicylate (natural); CAS-119-36-8; CCRIS 6259; methyl hydroxybenzoate; HSDB 1935; WINTER GREEN OIL; EINECS 204-317-7; EPA Pesticide Chemical Code 076601; Metylester kyseliny salicylove [Czech]; Methylester kyseliny salicylove [Czech]; BRN 0971516; Methyl salicylate [JAN:NF]; Methylester kyseliny salicylove; FEMA No. 2154; FEMA No. 3113; AI3-00090; methyl-salicylate; Flavor,wintergreen; Methylis salicylas; salicylic acid methyl; 1-O-methylsalicylate; Salonpas (Salt/Mix); salicylate methyl ester; Methyl Salicylate,(S); Theragesic (Salt/Mix); Methyl salicylate (TN); Methyl salicylate, 8CI; methyl-2-hydroxybenzoate; Enamine_001611; Methyl salicylate, 98%; Methyl salicylate,synthetic; Methyl salicylate, BioXtra; salicylic-acid methyl ester; WLN: QR BVO1; EC 204-317-7; SCHEMBL5312; Betula oil, Wintergreen oil; ZINC490; 4-10-00-00143 (Beilstein Handbook Reference); BIDD:ER0323; Wintergreen oil, China origin; CHEMBL108545; GTPL2431; Methyl salicylate (JP17/NF); DTXSID5025659; FEMA 2745; NSC8204; HMS1398J05; HMS2089H12; HMS3885C04; BCP29151; CS-B1799; HY-Y0189; Methyl ester 2-hydroxy-benzoic acid; Tox21_111081; Tox21_201543; Tox21_300137; BBL010504; s3756; STK397388; Methyl salicylate, analytical standard; AKOS000118977; CCG-266225; DB09543; MCULE-5398249325; Methyl ester of 2-hydroxy-benzoic acid; Methyl salicylate, >=98%, FCC, FG; NCGC00091106-01; NCGC00091106-03; NCGC00091106-04; NCGC00091106-05; NCGC00254104-01; NCGC00259093-01; 8024-54-2; 90045-28-6; AC-11584; H364; SY008800; TS-02010; DB-012808; FT-0612582; FT-0622968; FT-0695782; FT-0698844; Methyl salicylate, natural, 98%, FCC, FG; Methyl salicylate, puriss., 99.0-100.5%; D01087; D70335; Methyl salicylate, SAJ first grade, >=98.0%; Methyl salicylate, tested according to Ph.Eur.; AB01275470-01; Methyl salicylate 100 microg/mL in Acetonitrile; A804265; Methyl salicylate, ReagentPlus(R), >=99% (GC); Methyl salicylate, Vetec(TM) reagent grade, 99%; Q407669; SR-05000001473; Q-100939; SR-05000001473-1; Z19703590; 2-[Hydroxy(methoxy)methylene]-3,5-cyclohexadiene-1-one; F0001-0306; 6-[(E)-Methoxyhydroxymethylene]-2,4-cyclohexadiene-1-one; Methyl salicylate, United States Pharmacopeia (USP) Reference Standard; Methyl salicylate, Pharmaceutical Secondary Standard; Certified Reference Material; Gaultheria oil pound>>Wintergreen oil pound>>2-Hydroxy-benzoicacimethylester pound>>Methyl 2-hydroxybenzoate
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  Formula C8H8O3
  Weight 152.15
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
  InChI Key OSWPMRLSEDHDFF-UHFFFAOYSA-N
  Isomeric SMILES COC(=O)C1=CC=CC=C1O
  Canonical SMILES COC(=O)C1=CC=CC=C1O
  External Links PubChem ID 4133
CAS ID 119-36-8
NPASS ID NPC128825
CHEMBL ID CHEMBL108545
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Glechoma hederacea
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
Samples of Glechoma hederacea were collected at full flowering in seven localities in Vilnius district (Lithuania) at 2005: A - Salininkai, B -Zolyno, C - Mistunai, D -Antakalnis, E - Nemencine, F - Seskine, G -Zujunai.
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               Factor Function
More than half of the oils were rich in sesquiterpene hydrocarbons (56.5-67.9%). The most predominant compound was germacrene D (14.1-20.7%). The other main constituents were gamma-elemene (9.0-16.0%), beta-elemene (8.7-12.9%), phytols (2.8-15.6%), (Z)-beta-ocimene (2.2-8.5%), 1,8-cineole (92.2-5.4%), beta-ylangene (2.7-4.1%) and germacrene B (2.2-3.9%). Forty-three identified compounds made up 89.1-96.2%. Four oils (A, D-G) might be attributed to germacrene / elemene chemotype and three samples (A-C) containing marked amounts of phytols beside above compounds were of germacrene/elemene/phytols chemotype.
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               Factor Part Location NP Content
 
Locality: Antakalnis, Lithuania
 Aerial parts Lithuania
NP Content: 1.6 %
 
Locality: Seskine, Lithuania
 Aerial parts Lithuania
NP Content: 0.2 %
 
Locality: Zujunai, Lithuania
 Aerial parts Lithuania
NP Content: 0.2 %
      Species Name: Teucrium chamaedrys
  Factor Name: Locality Variation [2]
              Species Info Factor Info
               Experiment Detail
The aerial parts of T. chamaedrys were collected at the flowering stage in June 2004 near Corti, Corsica, France and near Oristano, Sardinia, Italy
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               Factor Function
The Corsican and Sardinian oils of T. chamaedrys investigated in this study were qualitatively similar but they differed by the amount of their major components. The major components were beta-caryophyllene (29.0% and 27.4%, respectively) and germacrene D (19.4% and 13.5%, respectively), followed by alpha-humulene (6.8%) and delta-cadinene (5.4%) in the Corsican oil and by caryophyllene oxide (12.3%) and alpha-humulene (6.5%) in the Sardinian oil. These quantitative differences are also noticeable on the amounts of the different class compounds. Especially, the monoterpene hydrocarbons amounted for 10.3% and 4.1% in Sardinian and Corsican oils respectively and the oxygenated sesquiterpenes amounted for 18.9% and only 7.4% in both oils, respectively. Both oils were qualitatively rather similar in comparison with those reported in the literature from various geographic regions. However, among the 87 components identified in this study, 47 minor components (< 0.6%) reported were identified for the first time in T. chamaedrys oil. This study confirms the quantitative variability of the major components according to the plant origin.
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               Factor Part Location NP Content
 
Locality: Corti, Corsica, France
 Aerial parts France
NP Content: 0.1 %
 
Locality: Oristano, Sardinia, Italy
 Aerial parts Italy
NP Content: <0.05 %
References
1 The Essential Oil of Ground Ivy (Glechoma hederacea L) Growing Wild In Eastern Lithuania
2 Chemical Composition of the Essential Oils of Teucrium chamaedrys L. from Corsica and Sardinia