EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID10949451

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID10949451


InChI Key	HUXLEEUBQNQIPG-UHFFFAOYSA-N
Smiles	OC12CCC(C1)C3CC4OC4C32
InChI	InChI=1/C10H14O2/c11-10-2-1-5(4-10)6-3-7-9(12-7)8(6)10/h5-9,11H,1-4H2

InChI Key

HUXLEEUBQNQIPG-UHFFFAOYSA-N

Smiles

OC12CCC(C1)C3CC4OC4C32

InChI

InChI=1/C10H14O2/c11-10-2-1-5(4-10)6-3-7-9(12-7)8(6)10/h5-9,11H,1-4H2

Property Name	Value
Molecular Formula	C10H14O2
Molecular Weight	166.1
AlogP	0.93
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	32.76
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H14O2

Molecular Weight

166.1

AlogP

0.93

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

32.76

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	26616-34-2
NORMAN SUSDAT
PubChem	21124707

Resources

Reference

CAS NUMBER

26616-34-2

NORMAN SUSDAT

PubChem

21124707

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

OCTAHYDRO-2,5-METHANO-2H-INDENO[1,2-B]OXIRENOL

Structure

Physicochemical Descriptors

Cross References