EcoDrugPlus


Synonyms	2-(Heptadecyl)-Furan
Molecule Category	Free-form
UNII	A2W4XHU50P
EPA CompTox	DTXSID00174952
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

2-(Heptadecyl)-Furan

Molecule Category

Free-form

UNII

A2W4XHU50P

EPA CompTox

DTXSID00174952

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	ZDPKHSYNGVAHHN-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCc1occc1
InChI	InChI=1S/C21H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h17,19-20H,2-16,18H2,1H3

InChI Key

ZDPKHSYNGVAHHN-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCc1occc1

InChI

InChI=1S/C21H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h17,19-20H,2-16,18H2,1H3

Property Name	Value
Molecular Formula	C21H38O
Molecular Weight	306.53
AlogP	8.59
Number of Rotational Bond	16.0
Polar Surface Area	13.14
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C21H38O

Molecular Weight

306.53

AlogP

8.59

Number of Rotational Bond

16.0

Polar Surface Area

13.14

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	208329-97-9
ChEMBL	CHEMBL455086
FDA SRS	A2W4XHU50P
PubChem	183142
SureChEMBL	SCHEMBL8159198

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

SureChEMBL

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, 23^rd March 2026

2-(HEPTADECYL)FURAN

Structure

Physicochemical Descriptors

Cross References