EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	26A08O86E6
EPA CompTox	DTXSID5061087

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

26A08O86E6

EPA CompTox

DTXSID5061087


InChI Key	LTUMRKDLVGQMJU-UHFFFAOYSA-N
Smiles	C/C(C)=CCCC(C)=CCCC(C)=CCCC(C)=O
InChI	InChI=1/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3

InChI Key

LTUMRKDLVGQMJU-UHFFFAOYSA-N

Smiles

C/C(C)=CCCC(C)=CCCC(C)=CCCC(C)=O

InChI

InChI=1/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3

Property Name	Value
Molecular Formula	C18H30O
Molecular Weight	262.23
AlogP	5.77
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	17.07
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C18H30O

Molecular Weight

262.23

AlogP

5.77

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

9.0

Polar Surface Area

17.07

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	762-29-8
NORMAN SUSDAT
FDA SRS	26A08O86E6
PubChem	61206
ChemSpider	55150.0

Resources

Reference

CAS NUMBER

762-29-8

NORMAN SUSDAT

FDA SRS

26A08O86E6

PubChem

61206

ChemSpider

55150.0

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

5,9,13-PENTADECATRIEN-2-ONE, 6,10,14-TRIMETHYL-

Structure

Physicochemical Descriptors

Cross References