Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018158

Phytochemical name: Linalool, oxide

Synonymous chemical names:
Linalool, oxide

External chemical identifiers:
CID:CID_102611, CID:CID_22310

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Chemical structure information

SMILES:
CC(=CCCC(C1CO1)(O)C)C

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

InChIKey:
BXOURKNXQXLKRK-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCCCO3)))O)C)))))C

Functional groups:
CC=C(C)C, CC1CO1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CO1

Scaffold Graph/Node level:
C1CO1

Scaffold Graph level:
C1CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.754

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Chemical structure download