Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000225

Phytochemical name: Eucalyptol

Synonymous chemical names:
1,8cineole, 1,8-cineolebc, 1,8-cineole**, 1, 8- cineol, 1.8-cineol, 1,8 - cineole, 1-8,cineole, 1,8-cinaole, 1,8-cinéole, cineole-1,8, Eucalyptol, cineol, 1,8, 1,8-cineole*, 1,8-cineole†, 1-8, cineole, cinéol-1,8, eucalyptol or 1,8-cineole, 1 ,8-cineole, 1,8tineole, 1,8-cineoie, eucalyptol (1,8-cineole), 1,8- cineole, 1,8-cineole c, cineol, 1,8-Cineol, 1-8-cineole, cineol-1,8, 1, 8-cineol, 1,8 cineole, 1,8-cineol, 1,8-cineo1e, 1:8-cineole, 1.8 cineole, 1,8–cineole, 1-8 cineole-5, 1-8_cineol, 1,8-cineole/limonene, 1.8-cineole*, 1,8_cineole, 1.8-cineole, 1,8-ineole, 1, 8-cineole, 1,8-cineole+, eucalyptol, 1_ 8-cineole, 1,8 cineol, 1_8-cineole, 1,8-cineole (cineole), 1,8-Cineole, 1,8 cineole (eucalyptol), 1,8-cineol/limonene, 1: 8-cineole, 1,8:cineole, cineol, 1-8, cineol,1-8, 1,8-cineole, cineole,1, 8-, 1-8:cineol, cineole

External chemical identifiers:
CID:CID_2758, ChEMBL:CHEMBL485259, ZINC:ZINC000000967566, SureChEMBL:SCHEMBL19622, MolPort-003-929-343

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Chemical structure information

SMILES:
CC12CCC(CC1)C(O2)(C)C

InChI:
InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3

InChIKey:
WEEGYLXZBRQIMU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6))CO6)C)C

Functional groups:
COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC1CO2

Scaffold Graph/Node level:
C1CC2CCC1CO2

Scaffold Graph level:
C1CC2CCC1CC2

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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: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 2.776

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Chemical structure download