EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	A9FHS54L34

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

A9FHS54L34


InChI Key	DFHRKKNQGGEVPA-YPKPFQOOSA-N
Smiles	O=C(OCCCCCCCCC=CCCCCCCCC)CCCCCCC
InChI	InChI=1/C26H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h13-14H,3-12,15-25H2,1-2H3

InChI Key

DFHRKKNQGGEVPA-YPKPFQOOSA-N

Smiles

O=C(OCCCCCCCCC=CCCCCCCCC)CCCCCCC

InChI

InChI=1/C26H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h13-14H,3-12,15-25H2,1-2H3

Property Name	Value
Molecular Formula	C26H50O2
Molecular Weight	394.38
AlogP	8.93
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	22.0
Polar Surface Area	26.3
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C26H50O2

Molecular Weight

394.38

AlogP

8.93

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

22.0

Polar Surface Area

26.3

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	19149-86-1
NORMAN SUSDAT
FDA SRS	A9FHS54L34
PubChem	6436500

Resources

Reference

CAS NUMBER

19149-86-1

NORMAN SUSDAT

FDA SRS

A9FHS54L34

PubChem

6436500

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

OLEYL OCTANOATE

Structure

Physicochemical Descriptors

Cross References