EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	2P5MU968XW
EPA CompTox	DTXSID201032264

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

2P5MU968XW

EPA CompTox

DTXSID201032264


InChI Key	BCZFSDNVXODRAJ-JTTNIQEDSA-N
Smiles	C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)[C@@H]2CCC4
InChI	InChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11-,12+,13-,14-,16-/m1/s1

InChI Key

BCZFSDNVXODRAJ-JTTNIQEDSA-N

Smiles

C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)[C@@H]2CCC4

InChI

InChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11-,12+,13-,14-,16-/m1/s1

Property Name	Value
Molecular Formula	C16H25NO
Molecular Weight	247.19
AlogP	2.87
Hydrogen Bond Acceptor	2.0
Polar Surface Area	20.31
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C16H25NO

Molecular Weight

247.19

AlogP

2.87

Hydrogen Bond Acceptor

2.0

Polar Surface Area

20.31

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	466-61-5
NORMAN SUSDAT
FDA SRS	2P5MU968XW
PubChem	5462445
ChemSpider	10194155.0

Resources

Reference

CAS NUMBER

466-61-5

NORMAN SUSDAT

FDA SRS

2P5MU968XW

PubChem

5462445

ChemSpider

10194155.0

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

LYCOPODINE

Structure

Physicochemical Descriptors

Cross References