Details of Natural Product (NP)

General Information of Natural Product (ID: NP0050)
  Natural Product Name
1-Heptanol
  Synonyms
1-HEPTANOL; Heptan-1-ol; Heptyl alcohol; 111-70-6; Heptanol; n-Heptanol; n-Heptyl alcohol; Enanthic alcohol; Gentanol; n-Heptan-1-ol; Enanthyl alcohol; 1-Hydroxyheptane; Alcohol C-7; Hydroxy heptane; n-Heptanol-1; NSC 3703; Heptane-1-ol; UNII-8JQ5607IO5; l'Alcool n-heptylique primaire; HEPTYL ALCOHOL, N-; FEMA 2548; NSC3703; 8JQ5607IO5; Hydroxyheptane; Hexyl carbinol; DSSTox_CID_1937; C7 alcohol; DSSTox_RID_76413; DSSTox_GSID_21937; 53535-33-4; Fatty alcohol(C7); Pri-n-heptyl alcohol; Heptyl alcohol, primary; FEMA Number 2548; Heptyl alcohol (natural); N-Heptanol-1 [French]; 1-heptyl alcohol; CAS-111-70-6; FEMA No. 2548; HSDB 1077; EINECS 203-897-9; BRN 1731686; l'Alcool N-heptylique primaire [French]; AI3-15363; heptanol-1; Alcohol C7; MFCD00002986; 1-Hept; Heptyl alcohol, 8CI; 1-Heptanol, 98%; EC 203-897-9; n-C7H15OH; SCHEMBL2077; WLN: Q7; 4-01-00-01731 (Beilstein Handbook Reference); CHEMBL273459; Heptyl alcohol, natural, 98%; 1-Heptanol, analytical standard; DTXSID8021937; BDBM22605; CHEBI:43003; CHEBI:88619; NSC-3703; ZINC1666984; EINECS 258-615-7; Tox21_201247; Tox21_303470; 1-Heptanol, >=99.5% (GC); 7816AF; LMFA05000122; STL280281; Heptyl alcohol, >=97%, FCC, FG; AKOS000120104; MCULE-5882959353; 1-Heptanol, purum, >=99.0% (GC); NCGC00249005-01; NCGC00257506-01; NCGC00258799-01; LS-13378; CS-0152146; FT-0607877; H0033; A802399; Q113820; J-002619; F0001-0245; Z1259087039
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  Formula C7H16O
  Weight 116.2
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
  InChI Key BBMCTIGTTCKYKF-UHFFFAOYSA-N
  Isomeric SMILES CCCCCCCO
  Canonical SMILES CCCCCCCO
  External Links PubChem ID 8129
CAS ID 111-70-6
NPASS ID NPC279895
CHEMBL ID CHEMBL273459
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Ducrosia anethifolia
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
The aerial parts of Ducrosia anethifolia (DC.) Boiss. were collected in the wild from Mehdi Abad (Kerman province, in southern Iran) at the flowering stage in June 2006. The material was dried at room temperature.
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               Factor Function
The 63 components of this interesting plant were identified in the oil of D. anethifolia, representing 94.0% of the oil. alpha-Pinene (11.6%), terpinolene(3.2%) and (z)-beta-ocimene (2.8%) were the main hydrocarbon components present in the oil, while decanal (54.0%), cis-chrysanthenyl acetate(3.2%) and decanoic acid (1.3%) were the major oxygen-containing constituents.
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               Factor Part Location NP Content
 
Locality: Kerman, Iran
 Aerial parts Iran
NP Content: 0.1 %
      Species Name: Persea americana
  Factor Name: Variety Comparison; Locality Variation [2]
              Species Info Factor Info
               Experiment Detail
Experimental: Two hundred grams of healthy mature intact leaves were harvested from each of the taxa growing on their own rootstocks at the UC South Coast Research and Extension Center. flocc = P. americana var. floccosa from Mexico D-7; stey = P. americana var. steyermarkii from Mexico El Salvador 3-22-16; nubi = P. americana var. nubigena from Guatemala 45-C-1; mex = P. americena var. drymfolia from Tasco, Mexico; guat = P. americana var. guatemalensis cult. Nimlioh from Florida; bwl = P. ameticana var. americana cult. Trapp from Florida.
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               Factor Function
Analysis of oils showed the presence of over 90 components, of which 76 were identified. P. schiedeana oil was found to contain alpha-pinene (23.7%), beta-pinene (23.2%) and beta-caryophyllene as major components. The major constituents of P. americana var. floccosa and P. americana var. steyermarkii were alpha-pinene (10.9%, 7.6%), beta-pinene (20.6%, 10.4%), alpha-terpineol (9.6%, 7.9%), beta-caryophyllene (12.6%, 8.4%), viridiflorene (0.1%, 10.3%) and globulol (0.1%, 9.2%), respectively. The oils of P. americana var. nubigena and P. americana var. drymifolia contained alpha-terpineol (18.4%, 393%) and methylchavicol (12.4%, 40.2%), as major components, respectively. P. americana var. guatemalensis was found to be rich in beta-caryophyllene (38.3%), while the oils of P. americana var. americana and P. primatogena contained alpha-pinene (27.5%) and beta-pinene (40.9%), and alpha-pinene (24.6%), beta-caryophyllene (20.7%) and germacene D (10.1%).
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               Factor Part Location NP Content
 
Persea americana var. americana cv. Trapp (Locality: Florida)
 Leaves Florida, USA
NP Content: 0.6 %
 
Persea americana var. floccosa (Locality: Mexico)
 Leaves Mexico
NP Content: 0.1 %
 
Persea americana var. steyermarkii (Locality: Mexico El Salvador)
 Leaves Mexico El Salvador
NP Content: 0.1 %
References
1 Chemical Composition of the Essential Oil of Ducrosia anethifolia (DC.) Boiss. from Kerman Province in Iran
2 Essential Oils of Persea subgenus Persea (Lauraceae)