Summary

IMPPAT Phytochemical identifier: IMPHY009966

Phytochemical name: Eucarvone

Synonymous chemical names:
2,6,6-trimethyl 2,4cycloheptadien-1-one, eucarvone, eucarvone (tentatively) (?)

External chemical identifiers:
CID:136330, ChEBI:80820, ZINC:ZINC000001715897, FDASRS:6H2K49X6B0, SureChEMBL:SCHEMBL1655454, MolPort-001-812-557

---

Chemical structure information

SMILES:
CC1=CC=CC(CC1=O)(C)C

InChI:
InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)7-9(8)11/h4-6H,7H2,1-3H3

InChIKey:
QNGQIURXCUHNAT-UHFFFAOYSA-N

DeepSMILES:
CC=CC=CCCC7=O)))C)C

Functional groups:
CC1=CC=CCCC1=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC=CCC1

Scaffold Graph/Node level:
OC1CCCCCC1

Scaffold Graph level:
CC1CCCCCC1

---

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: Monocyclic monoterpenoids

NP-Likeness score: 2.485

---

Chemical structure download