3,4,5,6-Tetradehydrospartein-2-one (CED0191815)

Record Information

Version

1.0

Creation Date

2026-04-06 01:46:25 UTC

Update Date

2026-05-21 01:20:23 UTC

Accession Number

CHEM114419

Identification

Common Name

3,4,5,6-Tetradehydrospartein-2-one

Class

Small Molecule

Description

3,4,5,6-Tetradehydrospartein-2-one is an organic compound with the chemical formula C15H20N2O and an average molecular weight of 244.34 g/mol. 3,4,5,6-Tetradehydrospartein-2-one belongs to the anagyrine-type alkaloids, a subclass of lupin alkaloids within the organic compounds. The compound is found in or released from 13 recorded sources across several diverse sectors. Within the Electrical & Electronic Equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also found in Textiles, leather & furnishings, specifically in synthetic textiles as well as carpets and rugs. Other recorded sources include food packaging from the Food, food processing & cookware sector, medical devices from the Healthcare, pharmaceuticals & veterinary products sector, and lubricants from both the Energy, oil & gas and Industrial manufacturing & chemical processing sectors, along with one additional sector. Recorded exposure routes for 3,4,5,6-Tetradehydrospartein-2-one include inhalation, oral, and touch.

Contaminant Type

PFAS
Phytotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₂₀N₂O

Average Molecular Mass

244.338 g/mol

Monoisotopic Mass

244.158 g/mol

CAS Registry Number

486-89-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[H][C@]12CN3CCCC[C@]3([H])[C@@]([H])(CN3C(=O)C=CC=C13)C2

InChI Identifier

InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12+,13+/m0/s1

InChI Key

FQEQMASDZFXSJI-YNEHKIRRSA-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

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
113.0	Log mg/kg	[60:200]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
7	Pesticides	Agriculture & land management	Not Available
120	Wires and cables	Electrical & Electronic Equipment	Not Available
121	Printed circuit boards	Electrical & Electronic Equipment	Not Available
125	Batteries	Electrical & Electronic Equipment	Not Available
130	Semiconductors	Electrical & Electronic Equipment	Not Available
138	Lubricants	Energy, oil & gas	Not Available
147	Food packaging	Food, food processing & cookware	Not Available
174	Lubricants	Industrial manufacturing & chemical processing	Not Available
234	Medical devices	Healthcare, pharmaceuticals & veterinary products	Not Available
451	Carpets and Rugs	Textiles, leather & furnishings	Not Available
454	Synthetic textiles	Textiles, leather & furnishings	Not Available
490		Personal care & cosmetics	Not Available
492	Cell phones	Electrical & Electronic Equipment	Not Available
493	Capacitors	Electrical & Electronic Equipment	Not Available

Pathways

0 pathways

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	Lethal(3)malignant brain tumor-like protein 3	Q96JM7	Humans	Predicted (SEA)	33.9423
Click to view 3D structure	Scm-like with four MBT domains protein 1	Q9UHJ3	Humans	Predicted (SEA)	31.6068
Click to view 3D structure	PHD finger protein 23	Q9BUL5	Humans	Predicted (SEA)	31.6068
Click to view 3D structure	Lethal(3)malignant brain tumor-like protein 4	Q8NA19	Humans	Predicted (SEA)	31.6068
Click to view 3D structure	Vesicular acetylcholine transporter	Q16572	Humans	Predicted (SEA)	73.5675
Click to view 3D structure	MBT domain-containing protein 1	Q05BQ5	Humans	Predicted (SEA)	19.5402
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	1691.43
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	297.15
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	Q05941	Rattus norvegicus	Predicted (SEA)	117.007
Click to view 3D structure	Chromobox protein homolog 7	O95931	Humans	Predicted (SEA)	232.224
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	802.703
Click to view 3D structure	Vesicular acetylcholine transporter	Q62666	Rattus norvegicus	Predicted (SEA)	87.6582
Click to view 3D structure	5-hydroxytryptamine receptor 3B	O95264	Humans	Predicted (SEA)	6.22794
Click to view 3D structure	Lysine-specific demethylase 5A	P29375	Humans	Predicted (SEA)	193.611
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	1362.98
Click to view 3D structure	Vesicular acetylcholine transporter	P81721	Torpedo californica	Predicted (SEA)	49.7457
Click to view 3D structure	Kappa-type opioid receptor	P41144	Cavia porcellus	Predicted (SEA)	915.195
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	2182.35
Click to view 3D structure	PHD finger protein 20	Q9BVI0	Humans	Predicted (SEA)	141.296
Click to view 3D structure	TP53-binding protein 1	Q12888	Humans	Predicted (SEA)	62.2015
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	4099.38
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	6171.03
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	3288.12
Click to view 3D structure	Metallo beta-lactamase	Q6TUJ4	Pseudomonas aeruginosa	Predicted (SEA)	49.9792
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	1119.24