EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
EPA CompTox	DTXSID90872874

Keyword(s):

Natural Toxins

Molecule Category

Free-form

EPA CompTox

DTXSID90872874


InChI Key	TUGAUFMQYWZJAB-FPLPWBNLSA-N
Smiles	CCCCCCC=C/CCCCCCCC1=CC(O)=CC(O)=C1
InChI	InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7-

InChI Key

TUGAUFMQYWZJAB-FPLPWBNLSA-N

Smiles

CCCCCCC=C/CCCCCCCC1=CC(O)=CC(O)=C1

InChI

InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7-

Property Name	Value
Molecular Formula	C21H34O2
Molecular Weight	318.26
AlogP	6.51
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	13.0
Polar Surface Area	40.46
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C21H34O2

Molecular Weight

318.26

AlogP

6.51

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

13.0

Polar Surface Area

40.46

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	22910-86-7
NORMAN SUSDAT
PubChem	5281852
ChemSpider	4445147.0

Resources

Reference

CAS NUMBER

22910-86-7

NORMAN SUSDAT

PubChem

5281852

ChemSpider

4445147.0

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...

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Last update: Monday, 3 November 2025

5-(8Z-PENTADECENYL)RESORCINOL

Structure

Physicochemical Descriptors

Cross References