EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	NA66I0JFTI
EPA CompTox	DTXSID90948922

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

NA66I0JFTI

EPA CompTox

DTXSID90948922


InChI Key	IACKKVBKKNJZGN-UHFFFAOYSA-N
Smiles	OCCCCCCCCCCCCCCCCCCCCCCCCC
InChI	InChI=1/C25H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h26H,2-25H2,1H3

InChI Key

IACKKVBKKNJZGN-UHFFFAOYSA-N

Smiles

OCCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1/C25H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h26H,2-25H2,1H3

Property Name	Value
Molecular Formula	C25H52O
Molecular Weight	368.4
AlogP	8.97
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	23.0
Polar Surface Area	20.23
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C25H52O

Molecular Weight

368.4

AlogP

8.97

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

23.0

Polar Surface Area

20.23

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	26040-98-2
NORMAN SUSDAT
FDA SRS	NA66I0JFTI
PubChem	92247

Resources

Reference

CAS NUMBER

26040-98-2

NORMAN SUSDAT

FDA SRS

NA66I0JFTI

PubChem

92247

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

PENTACOSYL ALCOHOL

Structure

Physicochemical Descriptors

Cross References