Summary

IMPPAT Phytochemical identifier: IMPHY015059

Phytochemical name: Rose oxide

Synonymous chemical names:
rose oxide

External chemical identifiers:
CID:27866, ChEBI:90075, SureChEMBL:SCHEMBL583714, MolPort-002-527-573

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Chemical structure information

SMILES:
CC1CCOC(C1)C=C(C)C

InChI:
InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3

InChIKey:
CZCBTSFUTPZVKJ-UHFFFAOYSA-N

DeepSMILES:
CCCCOCC6)C=CC)C

Functional groups:
CC=C(C)C, 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: 2.336

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Chemical structure download