Details of Natural Product (NP)

General Information of Natural Product (ID: NP1043)
  Natural Product Name
2,4,6-Trichlorophenol
  Synonyms
2,4,6-TRICHLOROPHENOL; 88-06-2; Phenol, 2,4,6-trichloro-; Dowicide 2S; Phenachlor; OMAL; 2,4,6-TCP; RCRA waste number U231; Dowcide 2S; 2,4,6-trichloro-phenol; NCI-C02904; 1,3,5-Trichloro-2-hydroxybenzene; 2,4,6-Trichlorfenol; UNII-MHS8C5BAUZ; NSC 2165; MHS8C5BAUZ; CHEBI:28755; 2,4,6 T; Phenaclor; DSSTox_CID_1386; DSSTox_RID_76128; DSSTox_GSID_21386; CAS-88-06-2; CCRIS 605; 2,4,6-Trichlorfenol [Czech]; HSDB 4013; 2,4,6-Trichlorophenol 100 microg/mL in Methanol; EINECS 201-795-9; RCRA waste no. U231; BRN 0776729; AI3-00142; 4rpo; T6C; 2,6-Trichlorfenol; 1,5-Trichlorophenol; 2,6-Trichlorophenol; 2,4,6 trichlorophenol; 2,4,6,-trichlorophenol; Trichloro-2-hydroxybenzene; bmse000678; WLN: QR BG DG FG; 4-06-00-01005 (Beilstein Handbook Reference); MLS002415689; BIDD:ER0652; SCHEMBL184648; CHEMBL309917; DTXSID5021386; 2,4,6-Trichlorophenol, 98%; BDBM92752; NSC2165; ZINC391974; 2,4,6-Trichlorophenol [Polychlorophenols and their sodium salts]; NSC-2165; Tox21_202037; Tox21_300189; MFCD00002172; AKOS000118986; AS04490; LS11505; MCULE-3223249747; NCGC00090873-01; NCGC00090873-02; NCGC00090873-03; NCGC00090873-04; NCGC00254078-01; NCGC00259586-01; 2,4,6-Trichlorophenol (2,4,6-TCP); AC-10673; SMR001252243; 2,4,6-Trichlorophenol (2,4,6-TriCP); DB-023637; AM20050247; FT-0609852; T0390; C07098; 2,4,6-Trichlorophenol 10 microg/mL in Methanol; Q209189; 2,4,6-Trichlorophenol 10 microg/mL in Cyclohexane; 2,4,6-Trichlorophenol 5000 microg/mL in Methanol; Trichloro-2-hydroxybenzene, 2,4,6-Trichlorophenol; W-100420; F0001-2184; Z1262246113; 2,4,6-Trichlorophenol, PESTANAL(R), analytical standard; UNII-8Z4R9J59DL component LINPIYWFGCPVIE-UHFFFAOYSA-N; UNII-AZ1041M258 component LINPIYWFGCPVIE-UHFFFAOYSA-N; 2,4,6-Trichlorophenol, certified reference material, TraceCERT(R); 2,4,6-Trichlorophenol, purum, >=97.0% (GC), white to slightly brown
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  Formula C6H3Cl3O
  Weight 197.4
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
  InChI Key LINPIYWFGCPVIE-UHFFFAOYSA-N
  Isomeric SMILES C1=C(C=C(C(=C1Cl)O)Cl)Cl
  Canonical SMILES C1=C(C=C(C(=C1Cl)O)Cl)Cl
  External Links PubChem ID 6914
CAS ID 1988-06-02
CHEMBL ID CHEMBL309917
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Fritillaria imperialis
  Factor Name: Cultivar Comparison [1]
              Species Info Factor Info
               Experiment Detail
Plants of the F. imperialis cultivars Premier (very strong foxy odor) and Lutea (strong foxy odor), the F. imperialis subspecies Inodora (no odor), a cross between F. imperialis Lutea × Inodora (F1 generation, faint foxy odor) were grown from bulbs during the spring and early summer in clay soil near Midlum (Province of Friesland, The Netherlands). Bulbs, newly grown from these plants, were harvested in mid-June and stored, after removal of soil, at ambient temperature until analysis, which occurred in October and November.
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               Factor Function
GC-O revealed that the foxy odor was caused by a single component, identified as 3-methyl-2-butene-1-thiol on the basis of smell in GC-O analyses (two GC columns), mass spectra, and retention times. The abundance of 3-methyl-2-butene-1-thiol is consistent with the intensity of foxy Fritillaria odor in the F. imperialis cultivars: Premier > Lutea >> Lutea × Inodora, where the latter did not show a detectable peak in GC-MS.
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               Factor Part Location NP Content
 
Fritillaria imperialis cv. Inodora (no odor)
 Flowers Netherlends
NP Content: 2.2 %
 
Fritillaria imperialis cv. Lutea × Inodora (faint foxy odor)
 Flowers Netherlends
NP Content: 18.2 %
 
Fritillaria imperialis cv. Lutea (strong foxy odor)
 Flowers Netherlends
NP Content: 0.4 %
 
Fritillaria imperialis cv. Premier (very strong foxy odor)
 Flowers Netherlends
NP Content: 1.5 %
References
1 Identification of the Volatile Component(s) Causing the Characteristic Foxy Odor in Various Cultivars of Fritillaria imperialis L. (Liliaceae)