Summary

IMPPAT Phytochemical identifier: IMPHY017787

Phytochemical name: 2-Norpinanone, 3,6,6-trimethyl-

Synonymous chemical names:
3,6,6-trimethyl-bicyclo[3.1.1]heptan-2-one

External chemical identifiers:
CID:85945, SureChEMBL:SCHEMBL712868

---

Chemical structure information

SMILES:
O=C1C(C)CC2CC1C2(C)C

InChI:
InChI=1S/C10H16O/c1-6-4-7-5-8(9(6)11)10(7,2)3/h6-8H,4-5H2,1-3H3

InChIKey:
WNGMDDBBDVQVEB-UHFFFAOYSA-N

DeepSMILES:
O=CCC)CCCC6C4C)C

Functional groups:
CC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2CC1C2

Scaffold Graph/Node level:
OC1CCC2CC1C2

Scaffold Graph level:
CC1CCC2CC1C2

---

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: Pinane monoterpenoids

NP-Likeness score: 2.238

---

Chemical structure download