Summary

IMPPAT Phytochemical identifier: IMPHY015745

Phytochemical name: 2-Methyl-6-methylideneoct-7-en-4-one

Synonymous chemical names:
ipsenone

External chemical identifiers:
CID:12402006, SureChEMBL:SCHEMBL10024721

---

Chemical structure information

SMILES:
C=CC(=C)CC(=O)CC(C)C

InChI:
InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,8H,1,4,6-7H2,2-3H3

InChIKey:
IAUTWQNZPYUFQE-UHFFFAOYSA-N

DeepSMILES:
C=CC=C)CC=O)CCC)C

Functional groups:
C=CC(=C)C, CC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.945

---

Chemical structure download