Details of Natural Product (NP)

General Information of Natural Product (ID: NP0518)
  Natural Product Name
M-Xylene
  Synonyms
M-XYLENE; 1,3-Dimethylbenzene; 108-38-3; 1,3-Xylene; m-Xylol; meta-Xylene; m-Dimethylbenzene; m-Methyltoluene; Benzene, 1,3-dimethyl-; 3-Xylene; 1,3-Dimethylbenzol; Santosol 150; m-Xylene, benzylated; m-Xylenes; 2,4-Xylene; Benzene, 1,3-dimethyl-, benzylated; 1,3-Dimethylbenzene, benzylated; UNII-O9XS864HTE; NSC 61769; O9XS864HTE; CHEMBL286727; CHEBI:28488; MFCD00008536; Xylol, Dimethylbenzene; DSSTox_CID_1446; DSSTox_RID_78091; DSSTox_GSID_26298; Benzylated m-xylene; Xylene, m-; Naphtha Solvent from Coal Tar; Benzene, m-dimethyl-; Xylene mixture (50.31% m-xylene, 26.9% o-xylene, 22.24% p-xylene); Xylene mixture (60% m-xylene, 9% o-xylene, 14% p-xylene, 17% ethylbenzene); CAS-108-38-3; CCRIS 907; HSDB 135; EINECS 203-576-3; EINECS 272-684-0; metaxylene; AI3-08916; M xylene; Xylene, mixed isomers; META XYLENE; 1,3-dimethyl-benzene; m-Xylene [UN1307] [Flammable liquid]; bmse000554; Xylenes Reagent Grade ACS; EC 203-576-3; DSSTox_RID_76162; DSSTox_GSID_21446; m-Xylene, analytical standard; BENZENE,1,3-DIMETHYL; WLN: 1R C1; m-Xylene, anhydrous, >=99%; DTXSID6026298; m-Xylene, for synthesis, 99%; ZINC968281; m-Xylene, ReagentPlus(R), 99%; NSC61769; m-Xylene 10 microg/mL in Methanol; Tox21_200292; Tox21_202056; Tox21_303203; BDBM50008556; NSC-61769; STL268867; m-Xylene 100 microg/mL in Methanol; AKOS000121123; MCULE-9376558510; NCGC00091711-01; NCGC00091711-02; NCGC00091711-03; NCGC00257052-01; NCGC00257846-01; NCGC00259605-01; m-Xylene, SAJ first grade, >=98.5%; CAS-1330-20-7; FT-0629041; S0648; m-Xylene, puriss. p.a., >=99.0% (GC); C07208; J-503933; Q3234708; F1908-0174; UNII-D856J1047R component IVSZLXZYQVIEFR-UHFFFAOYSA-N; m-Xylene, Pharmaceutical Secondary Standard; Certified Reference Material
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  Formula C8H10
  Weight 106.16
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
  InChI Key IVSZLXZYQVIEFR-UHFFFAOYSA-N
  Isomeric SMILES CC1=CC(=CC=C1)C
  Canonical SMILES CC1=CC(=CC=C1)C
  External Links PubChem ID 7929
CAS ID 108-38-3
NPASS ID NPC147062
HIT ID C0228
CHEMBL ID CHEMBL286727
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Artemisia campestris
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
The aerial parts (~20 cm, 15-100 g) of A. campestris L. from ten different wild populations of Lithuania were gathered at the full flowering stage. Plant material was dried at room temperature (20-25 ℃). Oils (samples 1-10) obtained from Artemisia campestris plants collected at sampling sites (A-I,Y) characterized by locality, city (c.) or district (d.), soil type (Or, ordo; Sn, sand; Sl, sandy loam; Gr, gravel; Lm, loam) and description of natural habitat (Af, abandoned field; Fe, forest edge; Ct, cutting area; Mw, meadow; Rs, roadside; Rv, river valley): A (1) Birstonas c. (Or, Ct); B (2) Palanga c. (Sn, Fe); C (3) Nociunai, Kedainai d. (Or, Mw); D (4) Alytus c. (Sl, Rs); E (5) Moletai c. (Lm, Af); F (6) Kaltanenai, Sencionys d. (Gr, Fe); G (7) Merkine, Alytus d. (Sl, Ct); H (8) Trakai c. (Gr, Af); I (9) Druskininkai c. (Or, Rv); Y (10) Vilnius c. (Gr, Af).
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               Factor Function
The main chemical profile (ten samples) was characterized by the predominance of germacrene D (9.8-31.2%), while spathulenol, humulene epoxide II and caryophyllene oxide were found as the first major compounds in another three oils. One oil was determined as a mixed chemotype. Some compounds such as gamma-curcumene, alpha-cadinol, (E,E)-alpha-farnesene, beta-ylangene, beta-selinene and humulene epoxide II have been mentioned for the first time among three principal constituents in A. campestris oils. The fifty-six components made up 73.6.1-98.5% of the total content, while the remaining twenty-six volatile compounds were identified in insignificant amounts in the A. campestris essential oils.
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               Factor Part Location NP Content
 
Locality: Birstonas city, Lithuania (soil type: ordo; natural habitat: cutting area)
 Aerial parts Lithuania
NP Content: 0.3 %
 
Locality: Nociunai, Kedainai district, Lithuania (soil type: ordo; natural habitat: meadow)
 Aerial parts Lithuania
NP Content: <0.05 %
 
Locality: Alytus city, Lithuania (soil type: sandy loam; natural habitat: roadside)
 Aerial parts Lithuania
NP Content: <0.05 %
 
Locality: Moletai city, Lithuania (soil type: loam; natural habitat: abandoned field)
 Aerial parts Lithuania
NP Content: <0.05 %
 
Locality: Kaltanenai, Sencionys district, Lithuania (soil type: gravel; natural habitat: forest edge)
 Aerial parts Lithuania
NP Content: 0.9 %
 
Locality: Merkine, Alytus district, Lithuania (soil type: sandy loam; natural habitat: cutting area)
 Aerial parts Lithuania
NP Content: 1.3 %
 
Locality: Trakai city, Lithuania (soil type: gravel; natural habitat: abandoned field)
 Aerial parts Lithuania
NP Content: 1 %
 
Locality: Druskininkai city, Lithuania (soil type: ordo; natural habitat: river valley)
 Aerial parts Lithuania
NP Content: 1.1 %
 
Locality: Vilnius city, Lithuania (soil type: gravel; natural habitat: abandoned field)
 Aerial parts Lithuania
NP Content: 0.3 %
References
1 Variability of Artemisia campestris L. essential oils from Lithuania