EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	6Z9BZ8Q1D0
EPA CompTox	DTXSID901021573

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

6Z9BZ8Q1D0

EPA CompTox

DTXSID901021573


InChI Key	HSOYJGBJQAKCNA-CAIKYXSQSA-N
Smiles	C/C=C(C)/CC/C=C(C)/CC/C=C(C)/CCC=C(C)C
InChI	InChI=1S/C20H34/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,8-10,12-13,16H2,1-6H3/b18-7+,19-15+,20-14+

InChI Key

HSOYJGBJQAKCNA-CAIKYXSQSA-N

Smiles

C/C=C(C)/CC/C=C(C)/CC/C=C(C)/CCC=C(C)C

InChI

InChI=1S/C20H34/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,8-10,12-13,16H2,1-6H3/b18-7+,19-15+,20-14+

Property Name	Value
Molecular Formula	C20H34
Molecular Weight	274.27
AlogP	7.15
Number of Rotational Bond	9.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C20H34

Molecular Weight

274.27

AlogP

7.15

Number of Rotational Bond

9.0

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	9000-32-2
NORMAN SUSDAT
FDA SRS	6Z9BZ8Q1D0
PubChem	446073

Resources

Reference

CAS NUMBER

9000-32-2

NORMAN SUSDAT

FDA SRS

6Z9BZ8Q1D0

PubChem

446073

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

GUTTA-PERCHA

Structure

Physicochemical Descriptors

Cross References