Details of the Drug

General Information of Drug (ID: DME5CK3)

Drug Name
eucalyptol
Synonyms
Eucalyptol; cineole; 1,8-Cineole; 1,8-Cineol; Cajeputol; 470-82-6; 1,8-Epoxy-p-menthane; Eucalyptole; Zineol; Eucapur; Terpan; p-Cineole; 1,8-Oxido-p-menthane; 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane; Eukalyptol; CINEOL; Cucalyptol; Soledum; Eukalyptol [Czech]; Zedoary oil; Eucalyptol (natural); EUCALYPTUS OIL; p-Menthane, 1,8-epoxy-; Cineole (VAN); 2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-; NCI-C56575; Eucalyptol [USAN]; UNII-RV6J6604TK; FEMA No. 2465; 2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-; NSC 6171
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Affected Organisms
Humans and other mammals
ATC Code
R05CA13: eucalyptol
R05CA: Expectorants
R05C: EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
R05: COUGH AND COLD PREPARATIONS
R: RESPIRATORY SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 154.25
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C10H18O
IUPAC Name
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
Canonical SMILES
CC1(C2CCC(O1)(CC2)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
Cross-matching ID
PubChem CID
2758
ChEBI ID
CHEMBL485259
CAS Number
470-82-6
UNII
RV6J6604TK
DrugBank ID
DB03852
TTD ID
D05YAR
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Long transient receptor potential channel 8 (TRPM8) TTXDKTO TRPM8_HUMAN Activator [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Achaete-scute homolog 1 (ASCL1) OTI4X44G ASCL1_HUMAN Gene/Protein Processing [3]
Adenomatous polyposis coli protein (APC) OTKV0TIK APC_HUMAN Gene/Protein Processing [3]
Ankyrin repeat domain-containing protein 17 (ANKRD17) OTQ3DYEP ANR17_HUMAN Gene/Protein Processing [3]
Bcl2-associated agonist of cell death (BAD) OT63ERYM BAD_HUMAN Gene/Protein Processing [3]
Cbp/p300-interacting transactivator 2 (CITED2) OT812TV7 CITE2_HUMAN Gene/Protein Processing [3]
E3 ubiquitin-protein ligase TRIM21 (TRIM21) OTA4UJCF RO52_HUMAN Gene/Protein Processing [3]
Lymphoid enhancer-binding factor 1 (LEF1) OTWS5I5H LEF1_HUMAN Gene/Protein Processing [3]
Mucin-19 (MUC19) OTM06UGV MUC19_HUMAN Gene/Protein Processing [4]
Myc proto-oncogene protein (MYC) OTPV5LUK MYC_HUMAN Gene/Protein Processing [3]
Nuclear receptor subfamily 4 group A member 3 (NR4A3) OTPBE9R1 NR4A3_HUMAN Gene/Protein Processing [3]
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References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2464).
2 Identification of a cold receptor reveals a general role for TRP channels in thermosensation. Nature. 2002 Mar 7;416(6876):52-8.
3 Transcriptome Analysis Reveals the Anti-Tumor Mechanism of Eucalyptol Treatment on Neuroblastoma Cell Line SH-SY5Y. Neurochem Res. 2022 Dec;47(12):3854-3862. doi: 10.1007/s11064-022-03786-8. Epub 2022 Nov 4.
4 1,8-Cineol Reduces Mucus-Production in a Novel Human Ex Vivo Model of Late Rhinosinusitis. PLoS One. 2015 Jul 24;10(7):e0133040. doi: 10.1371/journal.pone.0133040. eCollection 2015.