Summary

IMPPAT Phytochemical identifier: IMPHY006352

Phytochemical name: Nerol oxide

Synonymous chemical names:
2h-pyran, 3,6-dihydro-4-methyl-2-(2- methyl-1-propenyl)-, nerol oxide, neroloxide, neryl oxide

External chemical identifiers:
CID:61275, ChEBI:144705, FDASRS:NSW8112Y7S, SureChEMBL:SCHEMBL1471767

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Chemical structure information

SMILES:
CC(=CC1OCC=C(C1)C)C

InChI:
InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3

InChIKey:
FRISMOQHTLZZRP-UHFFFAOYSA-N

DeepSMILES:
CC=CCOCC=CC6)C)))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCOCC1

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: Pyrans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 3.186

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Chemical structure download