EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	U0U163294D
EPA CompTox	DTXSID3035266

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

U0U163294D

EPA CompTox

DTXSID3035266


InChI Key	YJINQJFQLQIYHX-PLNGDYQASA-N
Smiles	CC/C=CCCCCCCCCCCOC(=O)C
InChI	InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5H,3,6-15H2,1-2H3/b5-4-

InChI Key

YJINQJFQLQIYHX-PLNGDYQASA-N

Smiles

CC/C=CCCCCCCCCCCOC(=O)C

InChI

InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5H,3,6-15H2,1-2H3/b5-4-

Property Name	Value
Molecular Formula	C16H30O2
Molecular Weight	254.22
AlogP	5.03
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	12.0
Polar Surface Area	26.3
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C16H30O2

Molecular Weight

254.22

AlogP

5.03

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

12.0

Polar Surface Area

26.3

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	20711-10-8
NORMAN SUSDAT
FDA SRS	U0U163294D
PubChem	5367692
ChemSpider	4519179.0

Resources

Reference

CAS NUMBER

20711-10-8

NORMAN SUSDAT

FDA SRS

U0U163294D

PubChem

5367692

ChemSpider

4519179.0

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...

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

Last update: Monday, 3 November 2025

(Z)-11-TETRADECENYL ACETATE

Structure

Physicochemical Descriptors

Cross References