Summary

IMPPAT Phytochemical identifier: IMPHY017618

Phytochemical name: (E)-beta-10,11-Dihydro-10,11-epoxyfarnesene

Synonymous chemical names:
(e)-β-10,11-dihydro-10,11-epoxyfarnesene

External chemical identifiers:
CID:6429137, SureChEMBL:SCHEMBL13090443

---

Chemical structure information

SMILES:
C=CC(=C)CC/C=C(/CCC1OC1(C)C)C

InChI:
InChI=1S/C15H24O/c1-6-12(2)8-7-9-13(3)10-11-14-15(4,5)16-14/h6,9,14H,1-2,7-8,10-11H2,3-5H3/b13-9+

InChIKey:
VLCSIBCFYWQTOS-UKTHLTGXSA-N

DeepSMILES:
C=CC=C)CC/C=C/CCCOC3C)C))))))C

Functional groups:
C/C=C(/C)C, C=CC(=C)C, CC1OC1(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: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Farnesane sesquiterpenoids

NP-Likeness score: 3.509

---

Chemical structure download