EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	GF978SJ9Z2
EPA CompTox	DTXSID50186747

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

GF978SJ9Z2

EPA CompTox

DTXSID50186747


InChI Key	XKEHLMZHBXCJGZ-UHFFFAOYSA-N
Smiles	O1CCOCCOCCOCCOCCOCCOCC1
InChI	InChI=1/C14H28O7/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15-1/h1-14H2

InChI Key

XKEHLMZHBXCJGZ-UHFFFAOYSA-N

Smiles

O1CCOCCOCCOCCOCCOCCOCC1

InChI

InChI=1/C14H28O7/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15-1/h1-14H2

Property Name	Value
Molecular Formula	C14H28O7
Molecular Weight	308.18
AlogP	0.12
Hydrogen Bond Acceptor	7.0
Polar Surface Area	64.61
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C14H28O7

Molecular Weight

308.18

AlogP

0.12

Hydrogen Bond Acceptor

7.0

Polar Surface Area

64.61

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	33089-36-0
NORMAN SUSDAT
FDA SRS	GF978SJ9Z2
PubChem	93160

Resources

Reference

CAS NUMBER

33089-36-0

NORMAN SUSDAT

FDA SRS

GF978SJ9Z2

PubChem

93160

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

1,4,7,10,13,16,19-HEPTAOXACYCLOHENICOSANE

Structure

Physicochemical Descriptors

Cross References