Summary

IMPPAT Phytochemical identifier: IMPHY016574

Phytochemical name: cis-Limonene 1,2 oxide

Synonymous chemical names:
cis-limonene 1,2 oxide

External chemical identifiers:
CID:6430738

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Chemical structure information

SMILES:
CCC[C@H](C(C)C)CCC(OC)C

InChI:
InChI=1S/C12H26O/c1-6-7-12(10(2)3)9-8-11(4)13-5/h10-12H,6-9H2,1-5H3/t11?,12-/m0/s1

InChIKey:
YQGNBRBNPIBBRC-KIYNQFGBSA-N

DeepSMILES:
CCC[C@H]CC)C))CCCOC))C

Functional groups:
COC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 1.067

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Chemical structure download