EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70161511

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70161511


InChI Key	FNEPSTUXZLEUCK-UHFFFAOYSA-N
Smiles	C1COCCOc2c(OCCOCCO1)cccc2
InChI	InChI=1S/C14H20O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h1-4H,5-12H2

InChI Key

FNEPSTUXZLEUCK-UHFFFAOYSA-N

Smiles

C1COCCOc2c(OCCOCCO1)cccc2

InChI

InChI=1S/C14H20O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h1-4H,5-12H2

Property Name	Value
Molecular Formula	C14H20O5
Molecular Weight	268.13
AlogP	1.51
Hydrogen Bond Acceptor	5.0
Polar Surface Area	46.15
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H20O5

Molecular Weight

268.13

AlogP

1.51

Hydrogen Bond Acceptor

5.0

Polar Surface Area

46.15

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	14098-44-3
NORMAN SUSDAT
PubChem	84197
ChemSpider	75956.0

Resources

Reference

CAS NUMBER

14098-44-3

NORMAN SUSDAT

PubChem

84197

ChemSpider

75956.0

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...

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Last update: Monday, 3 November 2025

1,4,7,10,13-BENZOPENTAOXACYCLOPENTADECIN, 2,3,5,6,8,9,11,12-OCTAHYDRO-

Structure

Physicochemical Descriptors

Cross References