Details of Natural Product (NP)

General Information of Natural Product (ID: NP0719)
  Natural Product Name
Phenethyl Benzoate
  Synonyms
Phenethyl benzoate; 2-Phenylethyl benzoate; 94-47-3; Phenylethyl benzoate; Benzoic acid, 2-phenylethyl ester; Benzylcarbinyl benzoate; Phenethylbenzoate; Phenethyl alcohol, benzoate; BENZOIC ACID, PHENETHYL ESTER; Benzyl carbinyl benzoate; Benzoic acid phenethyl ester; 2-Fenylethylester kyseliny benzoove; UNII-0C143929GK; .beta.-Phenethyl benzoate; .beta.-Phenylethyl benzoate; B-PHENYLETHYL BENZOATE; 0C143929GK; FEMA No. 2860; EINECS 202-336-5; NSC 24096; BRN 2052132; AI3-01813; 2-Fenylethylester kyseliny benzoove [Czech]; phenylethylbenzoate; 2-phenylethylbenzoate; Benzoic acid phenethyl; beta-Phenethyl benzoate; beta-Phenylethyl benzoate; WLN: RVO2R; DSSTox_CID_27590; DSSTox_RID_82437; DSSTox_GSID_47590; 2-Phenylethyl benzoate, 9CI; 4-09-00-00308 (Beilstein Handbook Reference); SCHEMBL168823; MEGxp0_000422; CHEMBL2252208; DTXSID9047590; benzoic acid 2-phenylethyl ester; FEMA 2860; benzoic acid 2-phenyl ethyl ester; CHEBI:156233; Phenethyl benzoate, >=99%, FG; ZINC410077; 6,6-DIBROMOPENICILLANICACID; NSC24096; Tox21_302622; 6279AF; NSC-24096; AKOS003446898; MCULE-6564135820; CAS-94-47-3; NCGC00256633-01; AC-18661; BS-42460; Q27236591
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  Formula C15H14O2
  Weight 226.27
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
  InChI Key OSORMYZMWHVFOZ-UHFFFAOYSA-N
  Isomeric SMILES C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2
  Canonical SMILES C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2
  External Links PubChem ID 7194
CAS ID 94-47-3
NPASS ID NPC42211
CHEMBL ID CHEMBL2252208
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Solidago virgaurea
  Factor Name: Altitude Variation [1]
              Species Info Factor Info
               Experiment Detail
Aerial parts of Solidago virgaurea plants were randomly collected from the wild at two different altitudes, as described below, during the 2000 vegetation period. All the collections of the plant samples were carried out during massive bud formation and the beginning of flowering stage. Sample # 1, LTS00-46; 10 kg of the sample was collected on July 31, 2000 at LAT: 51° 07′ LON: 81° 10′ HEI 290 m from Altai land, Lokteev district, near the village of NovoMikhaylovskoe, on the left bank of the Aley River, outskirts of pine forest, fire area, sandy soils. Sample # 2, LTS00-57; 5.6 kg of the sample was collected on August 3, 2000 at LAT 51° 14′ LON 82° 28′ HEI 650 m from Altai land, Kur'in district, around the Kolyvanm quarries, with diverse turf grasses, along the river bank of Aley.
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               Factor Function
The main components from 290 m were alpha-pinene (36.5%), myrcene (14.8%), beta-caryophyllene (10.5%), germacrene D (8.2%), beta-pinene (7.1%) and limonene+beta-phellandrene (6.4%). The oil from the sample collected at 650 m had benzyl benzoate (57.0%), beta-caryophyllene (6.3%), germacrene D (6.0%), alpha-pinene (4.4%) and alpha-humulene (4.0%) as major components, suggesting polymorphism or the existence of different chemoytpes.
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               Factor Part Location NP Content
 
Locality: Kur'in district, Russia; Altitude 650 m
 Flowers Russia
NP Content: 0.4 %
References
1 Volatile Oil-Bearing Flora of Siberia VIII: Essential Oil Composition and Antimicrobial Activity of Wild Solidago virgaurea L. from the Russian Altai