(±)-Cytisine (CED0006256)

Record Information

Version

1.0

Creation Date

2026-04-03 01:08:57 UTC

Update Date

2026-04-03 01:08:57 UTC

SynCED ID

CED0006256

Secondary Accession Numbers

CHEM059420

Identification

Common Name

(±)-Cytisine

Class

Small Molecule

Description

(±)-Cytisine is an organic compound with the formula C11H14N2O1 and an average molecular weight of 190.25 g/mol. (±)-Cytisine belongs to the cytisine and derivatives, a subclass of lupin alkaloids within the organic compounds. This compound is found in or released from six recorded sources. Within the category of household cleaning and consumer products, it is associated with cigar cigarettes, non electric simulated smoking devices, other smoking requisites, pipe accessories, and tobacco smoke filters. Additionally, it is found in electrical and electronic equipment, specifically electrically stimulated smoking devices.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₁H₁₄N₂O₁

Average Molecular Mass

190.246 g/mol

Monoisotopic Mass

190.111 g/mol

CAS Registry Number

15191-27-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

O=C1C=CC=C2C3CNCC(C3)CN12

InChI Identifier

InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2

InChI Key

ANJTVLIZGCUXLD-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-03dj-4900000000-39e9ec91f667264d22e0	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0900000000-478c29bdf6674a2ea905	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0900000000-478c29bdf6674a2ea905	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0007-9700000000-da466d006adeed3adfb7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0900000000-737a601f9d97628ca508	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0900000000-ee3c51c2e80badac3911	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-07bf-2900000000-5fe2ec7f16531a8a8a30	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
232.0 Log mg/kg [130:410]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	Electrical & Electronic Equipment	PubChem
CEDs000556	Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.	Household cleaning & consumer products	PubChem
CEDs000559	Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.	Household cleaning & consumer products	PubChem
CEDs000560	Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.	Household cleaning & consumer products	PubChem
CEDs000562	Pipe Accessories?Pipe accessories, such as fittings, connectors, and seals, are components used in plumbing systems to facilitate the flow of liquids and gases.	Household cleaning & consumer products	PubChem
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	PubChem
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000578	Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.	Industrial manufacturing & chemical processing	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	Prediction Confidence Score 0.439 Applicability Domain 1.0 Statistical Significance 3.30e-04 Supporting Reference Compounds 77 E-value 2.56902
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	Q05941	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.403 Applicability Domain 1.0 Statistical Significance 6.80e-04 Supporting Reference Compounds 55 E-value 5.29375
Click to view 3D structure	Nicotinic acetylcholine receptor alpha 5 subunit	A9XFY4	Musca domestica	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 1.0 Statistical Significance 6.00e-05 Supporting Reference Compounds 10 E-value 0.467095
Click to view 3D structure	Acetylcholine receptor subunit alpha	P02710	Torpedo californica	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 1.0 Statistical Significance 2.00e-05 Supporting Reference Compounds 11 E-value 0.155698
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-4	P09483	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.347 Statistical Significance 2.20e-04 Supporting Reference Compounds 7 E-value 1.71268
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-4	P43681	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.347 Statistical Significance 2.20e-04 Supporting Reference Compounds 7 E-value 1.71268
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.256 Low confidence Statistical Significance 0.6773 Supporting Reference Compounds 955 E-value 5272.65
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.32 Statistical Significance 0.5218 Supporting Reference Compounds 331 E-value 4062.56
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.256 Low confidence Statistical Significance 0.6217 Supporting Reference Compounds 541 E-value 4839.57
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.256 Low confidence Statistical Significance 0.5785 Supporting Reference Compounds 528 E-value 4503.58
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.213 Low confidence Statistical Significance 0.7036 Supporting Reference Compounds 507 E-value 5477.78
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.212 Low confidence Statistical Significance 0.9405 Supporting Reference Compounds 1498 E-value 7322.11
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.237 Low confidence Statistical Significance 0.8421 Supporting Reference Compounds 961 E-value 6555.53
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.213 Low confidence Statistical Significance 0.6876 Supporting Reference Compounds 451 E-value 5353.22
Click to view 3D structure	Glutathione S-transferase theta-1	Q01579	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0148 Supporting Reference Compounds 1 E-value 114.905
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.228 Low confidence Statistical Significance 0.8351 Supporting Reference Compounds 686 E-value 6501.19
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.211 Low confidence Statistical Significance 0.8506 Supporting Reference Compounds 1103 E-value 6622.09
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.211 Low confidence Statistical Significance 0.8324 Supporting Reference Compounds 953 E-value 6480.56
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.228 Low confidence Statistical Significance 0.8385 Supporting Reference Compounds 823 E-value 6527.73
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.213 Low confidence Statistical Significance 0.4873 Supporting Reference Compounds 229 E-value 3793.75
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.208 Low confidence Statistical Significance 0.8004 Supporting Reference Compounds 593 E-value 6230.82
Click to view 3D structure	5-hydroxytryptamine receptor 3A	P46098	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.226 Low confidence Statistical Significance 0.5878 Supporting Reference Compounds 228 E-value 4576.29
Click to view 3D structure	Coagulation factor X	P00742	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.32 Statistical Significance 0.6285 Supporting Reference Compounds 284 E-value 4892.75
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.237 Low confidence Statistical Significance 0.9019 Supporting Reference Compounds 1022 E-value 7021.3
Click to view 3D structure	Non-receptor tyrosine-protein kinase TYK2	P29597	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.237 Low confidence Statistical Significance 0.8528 Supporting Reference Compounds 657 E-value 6639.14