EcoDrugPlus


Synonyms	1,8-cineol 1,8-cineole Cajeputol Cineole Eucaly Eucalyptol Eucalyptole Eucapur Eukalyptol FEMA NO. 2465 NSC-6171 P-cineole Terpan
Status
Molecule Category	Free-form
UNII	RV6J6604TK
EPA CompTox	DTXSID4020616

Synonyms

1,8-cineol

1,8-cineole

Cajeputol

Cineole

Eucaly

Eucalyptol

Eucalyptole

Eucapur

Eukalyptol

FEMA NO. 2465

NSC-6171

P-cineole

Terpan

Status

Molecule Category

Free-form

UNII

RV6J6604TK

EPA CompTox

DTXSID4020616


InChI Key	WEEGYLXZBRQIMU-UHFFFAOYSA-N
Smiles	CC12CCC(CC1)C(C)(C)O2
InChI	InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3

InChI Key

WEEGYLXZBRQIMU-UHFFFAOYSA-N

Smiles

CC12CCC(CC1)C(C)(C)O2

InChI

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

Property Name	Value
Molecular Formula	C10H18O
Molecular Weight	154.25
AlogP	2.74
Hydrogen Bond Acceptor	1.0
Polar Surface Area	9.23
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H18O

Molecular Weight

154.25

AlogP

2.74

Hydrogen Bond Acceptor

1.0

Polar Surface Area

9.23

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

11.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	10-50

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

10-50

Resources	Reference
ChEMBL	CHEMBL485259
DrugCentral	4259
FDA SRS	RV6J6604TK
Human Metabolome Database	HMDB0004472
Guide to Pharmacology	2464
KEGG	C09844
PubChem	2758
SureChEMBL	SCHEMBL19622
ZINC	ZINC000000967566

Resources

Reference

ChEMBL

CHEMBL485259

DrugCentral

4259

FDA SRS

RV6J6604TK

Human Metabolome Database

HMDB0004472

Guide to Pharmacology

KEGG

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

EUCALYPTOL

Structure

Physicochemical Descriptors

Pharmacology

Cross References