Summary

IMPPAT Phytochemical identifier: IMPHY014869

Phytochemical name: Isomenthone

Synonymous chemical names:
cis-menthone, isomenthon, l-iso-menthone, lsomenthone

External chemical identifiers:
CID:6432469, ChEBI:36496, ZINC:ZINC000000968037, FDASRS:9WZ3E2G6CL, SureChEMBL:SCHEMBL4395963

---

Chemical structure information

SMILES:
C[C@H]1CC[C@H](C(=O)C1)C(C)C

InChI:
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1

InChIKey:
NFLGAXVYCFJBMK-IUCAKERBSA-N

DeepSMILES:
C[C@H]CC[C@H]C=O)C6))CC)C

Functional groups:
CC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

---

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, Monocyclic monoterpenoids

NP-Likeness score: 1.581

---

Chemical structure download