Details of Natural Product (NP)

General Information of Natural Product (ID: NP0577)
  Natural Product Name
Benzyl Salicylate
  Synonyms
BENZYL SALICYLATE; 118-58-1; Benzyl 2-hydroxybenzoate; Benzyl o-hydroxybenzoate; Salicylic acid, benzyl ester; Salicylic Acid Benzyl Ester; Benzoic acid, 2-hydroxy-, phenylmethyl ester; Phenylmethyl 2-hydroxybenzoate; NSC 6647; Salicyclic acid, benzyl ester; UNII-WAO5MNK9TU; Salicyclic acid benzyl ester; WAO5MNK9TU; 2-Hydroxybenzoic acid, phenylmethyl ester; Benzoic acid, hydroxy-, phenylmethyl ester; DSSTox_CID_4598; DSSTox_RID_77462; DSSTox_GSID_24598; Salicylsaeurebenzylester; CAS-118-58-1; FEMA No. 2151; CCRIS 4749; EINECS 204-262-9; 2-Hydroxybenzoic acid phenylmethyl ester; BRN 2115365; benzylsalicylate; AI3-00517; benzyl-salicylate; Benzyle salicylate; salicylic acid benzyl; Benzyl O-Hydroxybenzene; Benzyl salicylate, 98%; WLN: QR BVO1R; EC 204-262-9; Salicylic acid-benzyl ester; SCHEMBL15573; 4-10-00-00157 (Beilstein Handbook Reference); MLS002415718; BIDD:ER0019; CHEMBL460124; DTXSID1024598; FEMA 2151; HSDB 8387; NSC6647; Benzyl salicylate, >=98%, FG; CHEBI:165211; HMS2268I12; ZINC388079; 2-Hydroxybenzoic Acid Benzyl Ester; NSC-6647; Tox21_201869; Tox21_303046; MFCD00020034; Benzyl salicylate, analytical standard; AKOS015915010; MCULE-2477442780; NCGC00091411-01; NCGC00091411-02; NCGC00091411-03; NCGC00256928-01; NCGC00259418-01; AC-11580; AS-12902; SMR000112465; DB-052255; Benzyl salicylate, purum, >=99.0% (GC); FT-0654421; S0009; A893092; Q416929; J-003850; Z19703595
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  Formula C14H12O3
  Weight 228.24
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
  InChI Key ZCTQGTTXIYCGGC-UHFFFAOYSA-N
  Isomeric SMILES C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
  Canonical SMILES C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
  External Links PubChem ID 8363
CAS ID 118-58-1
NPASS ID NPC233282
CHEMBL ID CHEMBL460124
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Pinus sylvestris
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
The branches of pine were collected in July, 1996 in 15 different locations in Lithuania in the following regions: Western part (Silute, Jurbarkas, Kursiu Nerija), Eastern part (Salcininkai, Zarasai, Moletai), Southern part (Varena, Trakai, Radviliskis) and central part (Ukmerge, Jonava, Kaisiadorys). The branches in each location were collected from the trees in approximately 1 km radius.
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               Factor Function
More than 70 constituents were identified (64 positively and 10 tentatively) in the oils. alpha-Pinene (18.5-33.0%) and delta-3-carene (9.1-24.6%) were dominating constituents with the only one exception when the germacrene-4-ol content in one of the samples was 13.2%. The important bornyl acetate content varied from 0.5% to 3.0%. The main sesquiterpenes were beta-caryophyllene, germacrene D, bicyclogermacrene, delta-cadinene, gamma-cadinene, germacrene D-4-ol, cubenol (2.0-5.1%) and alpha-cadinol (1.9-7.7%).
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               Factor Part Location NP Content
 
Locality: Jurbarkas, Lithuania
 Branches Jurbarkas, Lithuania
NP Content: 0.1 %
 
Locality: Zarasai (Sunele), Lithuania
 Branches Zarasai (Sunele), Lithuania
NP Content: 0.1 %
      Species Name: Solidago virgaurea
  Factor Name: Altitude Variation [2]
              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: Lokteev district, Russia; Altitude 290 m
 Flowers Russia
NP Content: 0.1 %
 
Locality: Kur'in district, Russia; Altitude 650 m
 Flowers Russia
NP Content: 0.6 %
References
1 Composition of Essential Oils of Pinus sylvestris L. from Different Locations of Lithuania
2 Volatile Oil-Bearing Flora of Siberia VIII: Essential Oil Composition and Antimicrobial Activity of Wild Solidago virgaurea L. from the Russian Altai