EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	8G3AW3GYU8
EPA CompTox	DTXSID701030449

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

8G3AW3GYU8

EPA CompTox

DTXSID701030449


InChI Key	QWCNQXNAFCBLLV-YWALDVPYSA-N
Smiles	CCCCCCC/C=C[C@@H](C#CC#C[C@@H](C=C)O)O
InChI	InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1

InChI Key

QWCNQXNAFCBLLV-YWALDVPYSA-N

Smiles

CCCCCCC/C=C[C@@H](C#CC#C[C@@H](C=C)O)O

InChI

InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1

Property Name	Value
Molecular Formula	C17H24O2
Molecular Weight	260.18
AlogP	2.82
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	40.46
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C17H24O2

Molecular Weight

260.18

AlogP

2.82

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

40.46

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	55297-87-5
NORMAN SUSDAT
FDA SRS	8G3AW3GYU8
PubChem	5281148
ChemSpider	4444588.0

Resources

Reference

CAS NUMBER

55297-87-5

NORMAN SUSDAT

FDA SRS

8G3AW3GYU8

PubChem

5281148

ChemSpider

4444588.0

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

FALCARINDIOL

Structure

Physicochemical Descriptors

Cross References