Summary

IMPPAT Phytochemical identifier: IMPHY006519

Phytochemical name: Linalool oxide, pyrane, (Z)-

Synonymous chemical names:
(z)-linalool oxide, (z)-linalool-oxide

External chemical identifiers:
CID:6431477

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Chemical structure information

SMILES:
C=C[C@]1(C)OC(C)(C)CC[C@@H]1O

InChI:
InChI=1S/C10H18O2/c1-5-10(4)8(11)6-7-9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m0/s1

InChIKey:
JRSMRFHLUZKHCR-WPRPVWTQSA-N

DeepSMILES:
C=C[C@]C)OCC)C)CC[C@@H]6O

Functional groups:
C=CC, CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.677

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Chemical structure download