Summary

IMPPAT Phytochemical identifier: IMPHY014942

Phytochemical name: Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, (1R,2R,4R)-rel-

Synonymous chemical names:
isobornyl formate

External chemical identifiers:
CID:23623868, ChEBI:132828, ZINC:ZINC000001850005, FDASRS:8QPT973QF4, MolPort-044-723-564

---

Chemical structure information

SMILES:
O=CO[C@@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C

InChI:
InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8-,9-,11+/m1/s1

InChIKey:
RDWUNORUTVEHJF-KKZNHRDASA-N

DeepSMILES:
O=CO[C@@H]C[C@@H]C[C@@]5C)CC5)))C)C

Functional groups:
COC=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC1C2

Scaffold Graph/Node level:
C1CC2CCC1C2

Scaffold Graph level:
C1CC2CCC1C2

---

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: Camphane monoterpenoids

NP-Likeness score: 2.346

---

Chemical structure download