Details of Natural Product (NP)

General Information of Natural Product (ID: NP1102)
  Natural Product Name
Methyl 4-Methoxybenzoate
  Synonyms
METHYL 4-METHOXYBENZOATE; 121-98-2; Methyl p-anisate; Methyl anisate; Methyl p-methoxybenzoate; Methyl 4-Anisate; 4-Methoxybenzoic acid methyl ester; Benzoic acid, 4-methoxy-, methyl ester; p-Anisic acid, methyl ester; p-Methoxybenzoic acid methyl ester; p-Anisic acid methyl ester; Benzoic acid, p-methoxy-, methyl ester; NSC 7324; UNII-2MFL7873W9; 4-methoxy methylbenzoate; METHYL PARA-ANISATE; CHEMBL1762668; CHEBI:86903; FEMA 2679; NSC7324; 2MFL7873W9; 4-methoxy-benzoic acid methyl ester; NSC-7324; Methyl ester of p-Methoxybenzoic acid; MFCD00008437; F1335-0002; FEMA No. 2679; methyl P-methoxy benzoate; EINECS 204-513-2; BRN 2208571; AI3-00229; Methyl-p-anisate; Methyl p-anisate, 99%; bmse010016; WLN: 1OVR DO1; DSSTox_CID_27645; DSSTox_RID_82472; 4-Methoxybenzoic acid methyl; DSSTox_GSID_47645; SCHEMBL231243; ANISIC ACID METHYL ESTER; METHYL-4-METHOXYBENZOATE; RARECHEM AL BF 0083; DTXSID7047645; ZINC87933; Methyl p-anisate, >=99%, FG; NSC7324NSC 7324; Tox21_302682; AC7521; BDBM50340087; LABOTEST-BB LT00782008; PARA-ANISIC ACID METHYL ESTER; STK041805; AKOS000501135; AC-7084; AS02499; CS-W016058; HY-W015342; MCULE-7764530900; NCGC00256751-01; CAS-121-98-2; DS-13900; SY003911; Methyl p-anisate, >=99% (capillary GC); DB-012814; AM20050128; FT-0628647; FT-0671960; AQ-917/40232598; Q6823933; W-108443
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  Formula C9H10O3
  Weight 166.17
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
  InChI Key DDIZAANNODHTRB-UHFFFAOYSA-N
  Isomeric SMILES COC1=CC=C(C=C1)C(=O)OC
  Canonical SMILES COC1=CC=C(C=C1)C(=O)OC
  External Links PubChem ID 8499
CAS ID 121-98-2
NPASS ID NPC220540
CHEMBL ID CHEMBL1762668
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Artemisia absinthium
  Factor Name: Chemotype Comparison [1]
              Species Info Factor Info
               Experiment Detail
Ten different plants of wormwood were collected in March 1997 from each one of the following four wild populations in the Spanish Pyrenees: Tallo de Aulet (prov. Huesca) and Pont de Suert, Sort and Farga de Moles (prov. Lleida). In three of the four populations studied, there was another chemotype, with 25-65% of cis-epoxyocimene and 15-50% of chrysanthenyl acetate. This chemotype, called chemotype B, was less frequent in the Pyrenees than the chemotype A, appearing only in 17% of the samples (two samples in TallO de Aulet and in Pont de Suert and three samples in Farga de Moles).
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               Factor Function
Two chemotypes were detected; a cis-epoxyocimene type (with more than 50% of this compound) which was predominant in all the populations, and a cis-epoxyocimene + chrysanthenyl acetate type (with 25-65% of cis-epoxyocimene and 15-50% of chrysanthenyl acetate). The distribution of these chemotypes had no relation with the altitude of the samples.
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               Factor Part Location NP Content
 
Chemotype (cis-epoxyocimene type)
 Leaves Spain
NP Content: <0.03 %
 
Chemotype (cis-epoxyocimene + chrysanthenyl acetate type)
 Leaves Spain
NP Content: <0.03 %
References
1 Essential Oil of Artemisia absinthium L. from the Spanish Pyrenees