Details of Natural Product (NP)

General Information of Natural Product (ID: NP0785)
  Natural Product Name
1,3,5-Trimethoxybenzene
  Synonyms
1,3,5-Trimethoxybenzene; 621-23-8; Phloroglucinol trimethyl ether; sym-Trimethoxybenzene; Benzene, 1,3,5-trimethoxy-; 1,3,5-Trimethyoxybenzene; UNII-00VJI3VG3D; MFCD00008385; 00VJI3VG3D; CHEBI:31038; NCGC00095239-01; DSSTox_CID_25963; DSSTox_RID_81259; DSSTox_GSID_45963; O,O,O-1,3,5-Trimethylresorcinol; CAS-621-23-8; EINECS 210-673-4; NSC 90060; 1,3,5-Trimethoxy benzene; BRN 1307993; 1,5-Trimethoxybenzene; Spectrum_001404; 1,5-Trimethyoxybenzene; 1,3,5-trimethoxybenzol; Spectrum2_000426; Spectrum3_001030; Spectrum4_001163; Spectrum5_001766; 1,3,5 -trimethoxybenzene; 1,3,5-trimethoxy-benzene; 2,4,6-Trimethoxy-benzene; NCIOpen2_001419; SCHEMBL28493; BSPBio_002819; KBioGR_001765; KBioSS_001884; SPECTRUM231043; 4-06-00-07362 (Beilstein Handbook Reference); MLS002207155; SPBio_000412; CHEMBL1605492; DTXSID0045963; KBio2_001884; KBio2_004452; KBio2_007020; KBio3_002039; 1,3,5-Trimethoxybenzene (JAN); HMS1763E15; HMS1923E11; ZINC388241; ACT04949; HY-Y0678; NSC90060; Tox21_111489; CCG-39953; NSC-90060; s6294; AKOS000120577; Tox21_111489_1; AM10837; AS04446; CS-W009141; MCULE-9726275673; NCGC00095239-02; NCGC00095239-03; NCGC00095239-05; AS-10870; SMR001306732; SY018307; FT-0606514; P0250; D01792; D70893; A833592; 1,3,5-Trimethoxybenzene, ReagentPlus(R), >=99%; Q-200071; BRD-K81884069-001-02-8; BRD-K81884069-001-03-6; Q27114090; 1,3,5-Trimethoxybenzene, Vetec(TM) reagent grade, 98%; UNII-5PPX04J036 component LKUDPHPHKOZXCD-UHFFFAOYSA-N; 1,3,5-Trimethoxybenzene, Standard for quantitative NMR, TraceCERT(R)
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  Formula C9H12O3
  Weight 168.19
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
  InChI Key LKUDPHPHKOZXCD-UHFFFAOYSA-N
  Isomeric SMILES COC1=CC(=CC(=C1)OC)OC
  Canonical SMILES COC1=CC(=CC(=C1)OC)OC
  External Links PubChem ID 69301
CAS ID 621-23-8
NPASS ID NPC47422
CHEMBL ID CHEMBL1605492
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Eugenia chlorophylla
  Factor Name: Developmental Stage Variation [1]
              Species Info Factor Info
               Experiment Detail
Plant material was collected at vegetative stage (stems and leaves,September 2005) and at flowering stage (leaves and flowers,December 2004), inCuritiba,Parana state, Brazil.
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               Factor Function
Thirty-four components were identified, representing more than 80% of total oil. The major components were beta-caryophyllene (flowers-12.8%), caryophyllene oxide (stems-17.2%), globulol (stems-16.5%; leaves-22.5% at vegetative stage and 18.9% at flowering stage), 1-epi-cubenol (stems-10.9%), epi-alpha-muurolol (stems-16.8%) and alpha-cadinol (stems-12.1%; flowers-10.1%).
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               Factor Part Location NP Content
 
Flower: flowering stage
 Flowers Brazil
NP Content: 0.7 %
References
1 Chemical Composition and Antimicrobial Activity of Essential Oils of Eugenia chlorophylla (Myrtaceae)