Summary

IMPPAT Phytochemical identifier: IMPHY017380

Phytochemical name: 2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]oxirane

Synonymous chemical names:
farnesene epoxide,e

External chemical identifiers:
CID:5362910, SureChEMBL:SCHEMBL16182528

---

Chemical structure information

SMILES:
C/C(=CCCC(=C)C1CO1)/CCC=C(C)C

InChI:
InChI=1S/C15H24O/c1-12(2)7-5-8-13(3)9-6-10-14(4)15-11-16-15/h7,9,15H,4-6,8,10-11H2,1-3H3/b13-9+

InChIKey:
HNYSBTOKKSTMIG-UKTHLTGXSA-N

DeepSMILES:
C/C=CCCC=C)CCO3)))))))/CCC=CC)C

Functional groups:
C/C=C(/C)C, C=C(C)C1CO1, CC=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CO1

Scaffold Graph/Node level:
C1CO1

Scaffold Graph level:
C1CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Farnesane sesquiterpenoids

NP-Likeness score: 2.327

---

Chemical structure download