Summary

IMPPAT Phytochemical identifier: IMPHY015753

Phytochemical name: Isobornyl 2-methylbutyrate

Synonymous chemical names:
isobornyl-2-methyl butyrate, isobornyl-2-methylbutanoate, isobornyl2-methylbutyrate

External chemical identifiers:
CID:22082179, SureChEMBL:SCHEMBL786210

---

Chemical structure information

SMILES:
CCC(C(=O)OC1CC2C(C1(C)CC2)(C)C)C

InChI:
InChI=1S/C15H26O2/c1-6-10(2)13(16)17-12-9-11-7-8-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3

InChIKey:
CEVCMCWHMHJEQS-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)OCCCCC5C)CC5)))C)C)))))))C

Functional groups:
COC(C)=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: 2.047

---

Chemical structure download