Summary

IMPPAT Phytochemical identifier: IMPHY017154

Phytochemical name: Terpinyl formate

Synonymous chemical names:
terpinyl formate, α-terpinyl formate

External chemical identifiers:
CID:16537, ChEMBL:CHEMBL4162810, ChEBI:168454, FDASRS:GTJ0954O31, SureChEMBL:SCHEMBL561372

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Chemical structure information

SMILES:
O=COC(C1CCC(=CC1)C)(C)C

InChI:
InChI=1S/C11H18O2/c1-9-4-6-10(7-5-9)11(2,3)13-8-12/h4,8,10H,5-7H2,1-3H3

InChIKey:
IPYLQIQMGUZFCK-UHFFFAOYSA-N

DeepSMILES:
O=COCCCCC=CC6))C)))))C)C

Functional groups:
CC=C(C)C, COC=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: 2.143

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Chemical structure download