EcoDrugPlus


Synonyms	Sparteine
Status
Molecule Category	Free-form
ATC	C01BA04
UNII	298897D62S
EPA CompTox	DTXSID4023591

Synonyms

Sparteine

Status

Molecule Category

Free-form

ATC

C01BA04

UNII

298897D62S

EPA CompTox

DTXSID4023591


InChI Key	SLRCCWJSBJZJBV-TUVASFSCSA-N
Smiles	C1CCN2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]2C1
InChI	InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m1/s1

InChI Key

SLRCCWJSBJZJBV-TUVASFSCSA-N

Smiles

C1CCN2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]2C1

InChI

InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m1/s1

Property Name	Value
Molecular Formula	C15H26N2
Molecular Weight	234.39
AlogP	2.35
Hydrogen Bond Acceptor	2.0
Polar Surface Area	6.48
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C15H26N2

Molecular Weight

234.39

AlogP

2.35

Hydrogen Bond Acceptor

2.0

Polar Surface Area

6.48

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	90-39-1
ChEMBL	CHEMBL412873
FDA SRS	298897D62S
PubChem	644020
SureChEMBL	SCHEMBL847129
ZINC	ZINC000000156956

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

SureChEMBL

ZINC

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

SPARTEINE

Structure

Physicochemical Descriptors

Cross References