Details of Natural Product (NP)

General Information of Natural Product (ID: NP1133)
  Natural Product Name
Pentyl Hexanoate
  Synonyms
PENTYL HEXANOATE; Amyl hexanoate; 540-07-8; Amyl caproate; Hexanoic acid, pentyl ester; n-Amyl caproate; Amyl capronate; Pentyl caproate; Amyl hexoate; valeryl hexanoate; Hexanoic Acid Pentyl Ester; n-Caproic acid n-amyl ester; UNII-5M61M1AL1H; NSC 46119; n-Amyl n-hexanoate; Pentyl ester hexanoic acid; 5M61M1AL1H; WE(5:0/6:0); Amyl hexanoate (natural); FEMA No. 2074; EINECS 208-732-4; BRN 1760251; AI3-06030; Hexanoic acid pentyl; Hexanoic Acid Amyl Ester; DSSTox_CID_27581; DSSTox_RID_82431; DSSTox_GSID_47581; SCHEMBL333234; Amyl hexanoate, >=98%, FG; CHEMBL3187784; DTXSID0047581; FEMA 2074; CHEBI:179383; Amyl hexanoate, analytical standard; NSC46119; NSC53794; ZINC1677789; Tox21_302698; LMFA07010437; MFCD00027281; NSC-46119; NSC-53794; AKOS024319273; MCULE-4135523920; NCGC00256827-01; CAS-540-07-8; DB-052452; CS-0362574; FT-0632344; H0106; Q7165332
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  Formula C11H22O2
  Weight 186.29
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3
  InChI Key WRFZKAGPPQGDDQ-UHFFFAOYSA-N
  Isomeric SMILES CCCCCC(=O)OCCCCC
  Canonical SMILES CCCCCC(=O)OCCCCC
  External Links PubChem ID 10886
CAS ID 540-07-8
NPASS ID NPC154642
CHEMBL ID CHEMBL3187784
  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: unripe (cut)
 Fruits Boone county, USA
NP Content: 0.01 %
 
Fruit: ripe
 Fruits Boone county, USA
NP Content: 0.8 %
References
1 Identification of Components of Osage Orange Fruit (Maclura pomifera) and Their Repellency to German Cockroaches