EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
EPA CompTox	DTXSID601302758

Keyword(s):

Natural Toxins

Molecule Category

Free-form

EPA CompTox

DTXSID601302758


InChI Key	BIEZSEGUHJMPKG-FPLPWBNLSA-N
Smiles	CCCCCC/C=CCCCCCCCCCC1=CC(=CC=C1)O
InChI	InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h7-8,17,19-21,24H,2-6,9-16,18H2,1H3/b8-7-

InChI Key

BIEZSEGUHJMPKG-FPLPWBNLSA-N

Smiles

CCCCCC/C=CCCCCCCCCCC1=CC(=CC=C1)O

InChI

InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h7-8,17,19-21,24H,2-6,9-16,18H2,1H3/b8-7-

Property Name	Value
Molecular Formula	C23H38O
Molecular Weight	330.29
AlogP	7.58
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	15.0
Polar Surface Area	20.23
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C23H38O

Molecular Weight

330.29

AlogP

7.58

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

15.0

Polar Surface Area

20.23

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	111047-33-7
NORMAN SUSDAT
PubChem	4457468
ChemSpider	24693705.0

Resources

Reference

CAS NUMBER

111047-33-7

NORMAN SUSDAT

PubChem

4457468

ChemSpider

24693705.0

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

3-(10Z)-10-HEPTADECEN-1-YLPHENOL (CARDANOL C17:1)

Structure

Physicochemical Descriptors

Cross References