Details of Natural Product (NP)

General Information of Natural Product (ID: NP0787)
  Natural Product Name
Elemicin
  Synonyms
Elemicin; 487-11-6; 5-Allyl-1,2,3-trimethoxybenzene; Elemicine; 3,4,5-Trimethoxyallylbenzene; 1,2,3-trimethoxy-5-prop-2-enylbenzene; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-; UNII-HSZ191AKAN; BENZENE, 5-ALLYL-1,2,3-TRIMETHOXY-; 3-(3,4,5-Trimethoxyphenyl)-1-propene; HSZ191AKAN; CHEBI:4771; 1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene; 4-allyl-1,2,6-trimethoxybenzene; MFCD01656688; 1,2,3-Trimethoxy-5-(2-propenyl)-benzene; Benzene, 5-(2-propenyl)-1,2,3-trimethoxy; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- (9CI); 1,2,3-Trimethoxy-5-[2-propenyl]-benzene; CCRIS 6783; EINECS 207-649-0; NSC 16704; BRN 1912664; AI3-20815; 5'-metoxy eugenol; 5-allyl-1,2,3-trimethoxy-benzene; 3,5-Trimethoxyallylbenzene; 5-(Prop-2-en-1-yl)-1,2,3-trimethoxybenzene; SCHEMBL68542; 4-06-00-07478 (Beilstein Handbook Reference); 3,4, 5-Trimethoxyallylbenzene; 3,4,5-trimethoxyallyl benzene; CHEMBL458690; DTXSID60197586; 1,2,3-Trimethoxy-5-allylbenzene; ZINC899845; 4-allyl-1,2,6-trimethoxy benzene; HY-N6807; NSC16704; NSC-16704; s5120; AKOS015896443; CCG-266643; PS-4970; 1,2,3-trimethoxy-5-prop-2-enyl-benzene; Benzene,2,3-trimethoxy-5-(2-propenyl)-; DB-081347; 1,2,3-Trimethoxy-5-allylbenzene (elemicin); CS-0030665; FT-0652063; V6154; 1,2,3-Trimethoxy-5-(2-propenyl)benzene, 9CI; 487A116; A827594; Q417746; 4-(2-Ethyl-benzoimidazol-1-yl)-4-oxo-butyricacid; J-520432
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  Formula C12H16O3
  Weight 208.25
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3
  InChI Key BPLQKQKXWHCZSS-UHFFFAOYSA-N
  Isomeric SMILES COC1=CC(=CC(=C1OC)OC)CC=C
  Canonical SMILES COC1=CC(=CC(=C1OC)OC)CC=C
  External Links PubChem ID 10248
CAS ID 487-11-6
NPASS ID NPC204120
CHEMBL ID CHEMBL458690
  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: 0.6 %
      Species Name: Pimpinella tragioides
  Factor Name: Developmental Stage Variation [2]
              Species Info Factor Info
               Experiment Detail
Plant materials were collected from Chalous Road (north of Tehran province) both at the flowering stage in June and the seed stage in September 2003. The fresh plants were dried at room temperature. Dried stems/leaves (S/L) (collected during flowering stage), seeds (S) were hydrodistilled for 3 h in a Clevenger-type apparatus to produce the oils.
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               Factor Function
The major constituent in the stem/leaf oil was trans-alpha-bergamotene (77.1%), whereas the major constituent of the seed oil was pregeijerene (87.0%). Nonadecane (8.6%) were the other major constituents in the stem/leaf.
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               Factor Part Location NP Content
 
Leaf and stem: flowering stage
 Leaves and stems Iran
NP Content: 0.9 %
      Species Name: Portenschlagiella ramosissima
  Factor Name: Developmental Stage Variation [3]
              Species Info Factor Info
               Experiment Detail
Plant material was collected in October 2003. in Herceg Novi, Montenegro. The air-dried roots (54 g), seeds (73.5 g) and aerial parts during vegetative phase (V, 150 g) and aerial parts during flowering period (F, 110 g) of P. ramosissima were submitted for 3 h to water-distillation using a Clevenger type apparatus.
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               Factor Function
In all the oils samples the main component was myristicin. In the root oil myristicin was present with 68.5%, in oil from aerial parts during vegetative phase, myristicin was present with 88.9%, while in oil from aerial parts during flowering period this component was present with 91.5%, in the seed oil myristicin was found with 61.1%. It can be seen that myristicin was the most abundant component in all oil samples that we investigated with very high percentage. But, it can also be seen that the season of plant collection influenced the oil characteristics. The highest content of myristicin was present in the oil sample isolated from plants collected during the flowering period (91.5%), than in oil isolated during the vegetative phase.
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               Factor Part Location NP Content
 
Aerial parts: vegetative stage
 Aerial parts Montenegro
NP Content: 0.1 %
 
Aerial parts: flowering stage
 Aerial parts Montenegro
NP Content: 0.6 %
 
Root: vegetative stage
 Roots Montenegro
NP Content: 4.1 %
 
Seed: vegetative stage
 Seeds Montenegro
NP Content: 0.9 %
References
1 Chemical Composition and Antimicrobial Activity of Essential Oils of Eugenia chlorophylla (Myrtaceae)
2 Essential Oil Composition of Pimpinella tragioides (Boiss.) Benth. et Hook. from Iran
3 Antimicrobial Activity of Essential Oils Isolated from Different Parts of Endemic Plant Portenschlagiella ramosissima Tutin