EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
EPA CompTox	DTXSID00420148

Keyword(s):

Natural Toxins

Molecule Category

Free-form

EPA CompTox

DTXSID00420148


InChI Key	KYIYXWHVYGBAKF-YIXJMHAVSA-N
Smiles	C[C@@H]1C[C@]23[C@@H]4CCCN2CCC[C@@H]3[C@@H](C[C@H]4O)C1=O
InChI	InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-14,18H,2-9H2,1H3/t10-,11-,12-,13-,14-,16-/m1/s1

InChI Key

KYIYXWHVYGBAKF-YIXJMHAVSA-N

Smiles

C[C@@H]1C[C@]23[C@@H]4CCCN2CCC[C@@H]3[C@@H](C[C@H]4O)C1=O

InChI

InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-14,18H,2-9H2,1H3/t10-,11-,12-,13-,14-,16-/m1/s1

Property Name	Value
Molecular Formula	C16H25NO2
Molecular Weight	263.19
AlogP	1.84
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	40.54
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C16H25NO2

Molecular Weight

263.19

AlogP

1.84

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Polar Surface Area

40.54

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	664-23-3
NORMAN SUSDAT
PubChem	5462440
ChemSpider	30791171.0

Resources

Reference

CAS NUMBER

664-23-3

NORMAN SUSDAT

PubChem

5462440

ChemSpider

30791171.0

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

ANNOFOLINE

Structure

Physicochemical Descriptors

Cross References