EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L7QMG2CGV9
EPA CompTox	DTXSID10295485

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L7QMG2CGV9

EPA CompTox

DTXSID10295485


InChI Key	LBWCITVBZLTEKW-UHFFFAOYSA-N
Smiles	CC12CC3CC(C)(C1)CC(O)(C3)C2
InChI	InChI=1S/C12H20O/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9,13H,3-8H2,1-2H3

InChI Key

LBWCITVBZLTEKW-UHFFFAOYSA-N

Smiles

CC12CC3CC(C)(C1)CC(O)(C3)C2

InChI

InChI=1S/C12H20O/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9,13H,3-8H2,1-2H3

Property Name	Value
Molecular Formula	C12H20O1
Molecular Weight	180.15
AlogP	2.73
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C12H20O1

Molecular Weight

180.15

AlogP

2.73

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	707-37-9
NORMAN SUSDAT
FDA SRS	L7QMG2CGV9

Resources

Reference

CAS NUMBER

707-37-9

NORMAN SUSDAT

FDA SRS

L7QMG2CGV9

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

1-HYDROXY-3,5-DIMETHYLADAMANTANE

Structure

Physicochemical Descriptors

Cross References