Details of Natural Product (NP)

General Information of Natural Product (ID: NP1137)
  Natural Product Name
Hexyl Hexanoate
  Synonyms
HEXYL HEXANOATE; 6378-65-0; Hexyl caproate; Hexanoic acid, hexyl ester; n-Hexyl hexanoate; Hexyl hexoate; Hexanoic Acid Hexyl Ester; n-Hexyl n-hexanoate; Capryl caproate; UNII-GI6FE1QMW6; n-Hexyl caproate; Hexyl n-hexanoate; GI6FE1QMW6; WE(6:0/6:0); Hexyl hexanoate (natural); FEMA No. 2572; EINECS 228-952-4; NSC 53799; BRN 1762037; AI3-06035; Hexanoic acid hexyl; Hexyl Hexanoate Natural; DSSTox_CID_27552; DSSTox_RID_82414; DSSTox_GSID_47552; n-Caproic acid n-hexyl ester; WLN: 6OV5; SCHEMBL309476; CHEMBL3187323; DTXSID3047552; Hexyl hexanoate, >=97%, FG; FEMA 2572; NCDCLPBOMHPFCV-UHFFFAOYSA-; CHEBI:156492; NSC53799; ZINC1684740; Hexyl hexanoate, analytical standard; Tox21_302574; LMFA07010438; MFCD00053808; NSC-53799; AKOS015902921; MCULE-5321315306; NCGC00256858-01; LS-14157; M558; CAS-6378-65-0; C1514; FT-0627051; Hexyl hexanoate, natural (US), >=97%, FG; E79205; Q25383513
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  Formula C12H24O2
  Weight 200.32
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3
  InChI Key NCDCLPBOMHPFCV-UHFFFAOYSA-N
  Isomeric SMILES CCCCCCOC(=O)CCCCC
  Canonical SMILES CCCCCCOC(=O)CCCCC
  External Links PubChem ID 22873
CAS ID 6378-65-0
NPASS ID NPC80396
CHEMBL ID CHEMBL3187323
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Maclura pomifera
  Factor Name: Developmental Stage Variation [1]
              Species Info Factor Info
               Experiment Detail
Unripe fruits of M. pomifera were collected on the tree from a hedge in August 1999 located on state-owned land in Boone County, IA. Ripe fruits were collected from the ground at the same hedge in October 1999.
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               Factor Function
The most notable difference between the unripe and ripe fruits was the increase in hexyl hexanoate in the ripe fruit. Gamma-Cadinene and alpha-cubebene were the most abundant sesquiterpenoids.
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               Factor Part Location NP Content
 
Fruit: ripe
 Fruits Boone county, USA
NP Content: 30 %
References
1 Identification of Components of Osage Orange Fruit (Maclura pomifera) and Their Repellency to German Cockroaches