Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018253

Phytochemical name: 5-Isopropenyl-2-methyl-7-oxabicyclo[4.1.0]heptan-2-ol

Synonymous chemical names:
5-Isopropenyl-2-methyl-7-oxabicyclo[4.1.0]heptan-2-ol

External chemical identifiers:
CID:CID_565280

---

Chemical structure information

SMILES:
CC(=C)C1CCC(C2C1O2)(C)O

InChI:
InChI=1S/C10H16O2/c1-6(2)7-4-5-10(3,11)9-8(7)12-9/h7-9,11H,1,4-5H2,2-3H3

InChIKey:
FTJQTJQRGHNPSV-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCCCCC6O3)))C)O

Functional groups:
C=C(C)C, CC1OC1C, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2OC2C1

Scaffold Graph/Node level:
C1CCC2OC2C1

Scaffold Graph level:
C1CCC2CC2C1

---

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: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 3.178

---

Chemical structure download