EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID50161817

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID50161817


InChI Key	UNTITLLXXOKDTB-UHFFFAOYSA-N
Smiles	C1COCCOc2c(OCCOCCOCCOc3c(OCCO1)cccc3)cccc2
InChI	InChI=1S/C24H32O8/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h1-8H,9-20H2

InChI Key

UNTITLLXXOKDTB-UHFFFAOYSA-N

Smiles

C1COCCOc2c(OCCOCCOCCOc3c(OCCO1)cccc3)cccc2

InChI

InChI=1S/C24H32O8/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h1-8H,9-20H2

Property Name	Value
Molecular Formula	C24H32O8
Molecular Weight	448.21
AlogP	2.98
Hydrogen Bond Acceptor	8.0
Polar Surface Area	73.84
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C24H32O8

Molecular Weight

448.21

AlogP

2.98

Hydrogen Bond Acceptor

8.0

Polar Surface Area

73.84

Heavy Atoms

32.0

Resources	Reference
CAS NUMBER	14174-09-5
NORMAN SUSDAT
PubChem	84238
ChemSpider	75995.0

Resources

Reference

CAS NUMBER

14174-09-5

NORMAN SUSDAT

PubChem

84238

ChemSpider

75995.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

DIBENZO-24-CROWN-8

Structure

Physicochemical Descriptors

Cross References