[(e)-prop-1-enyl]boronic acid (CED0185912)

Record Information

Version

1.0

Creation Date

2026-08-22 13:32:36 UTC

Update Date

2026-08-22 13:32:36 UTC

SynCED ID

CED0185912

Secondary Accession Numbers

CHEM215783

Identification

Common Name

[(e)-prop-1-enyl]boronic acid

Class

Small Molecule

Description

[(e)-prop-1-enyl]boronic acid belongs to the boronic acids, a subclass of boronic acid derivatives within the organic compounds. It has the chemical formula C3H7BO2 and an average molecular weight of 85.90 g/mol. This compound is further classified under the superclass of organic acids and derivatives.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃H₇BO₂

Average Molecular Mass

85.900 g/mol

Monoisotopic Mass

86.054 g/mol

CAS Registry Number

7547-97-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C3H7BO2/c1-2-3-4(5)6/h2-3,5-6H,1H3/b3-2+

InChI Key

CBMCZKMIOZYAHS-NSCUHMNNSA-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

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
201.0 Log mg/kg [110:360]	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
CEDs000233	Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.	Personal care & cosmetics	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000613	Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000630	Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.	Recreation & sports surfaces	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	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
CEDs000703	Blackboards?Blackboards, traditionally made from slate or coated wood, can also be produced using synthetic materials that may contain various chemicals.	Paper, pulp & fiber products	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	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
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.259 Low confidence Statistical Significance 0.9689 Supporting Reference Compounds 407 E-value 7542.89
Click to view 3D structure	Subtilisin BL	P29599	Bacillus lentus	Predicted (SEA)	Prediction Confidence Score 0.131 Applicability Domain 0.143 Low confidence Statistical Significance 0.0162 Supporting Reference Compounds 2 E-value 126.194
Click to view 3D structure	Beta-lactamase	P00811	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.167 Low confidence Statistical Significance 0.6781 Supporting Reference Compounds 35 E-value 5279.35
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.148 Low confidence Statistical Significance 0.9973 Supporting Reference Compounds 472 E-value 7763.75
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.124 Applicability Domain 0.148 Low confidence Statistical Significance 0.9815 Supporting Reference Compounds 102 E-value 7640.75
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.122 Applicability Domain 0.167 Low confidence Statistical Significance 0.8985 Supporting Reference Compounds 68 E-value 6994.99
Click to view 3D structure	Lipoprotein lipase	P06858	Humans	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.167 Low confidence Statistical Significance 0.4822 Supporting Reference Compounds 9 E-value 3753.81
Click to view 3D structure	Arginase-2, mitochondrial	P78540	Humans	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.259 Low confidence Statistical Significance 0.0401 Supporting Reference Compounds 7 E-value 312.253
Click to view 3D structure	Subtilisin Carlsberg	P00780	Bacillus licheniformis	Predicted (SEA)	Prediction Confidence Score 0.116 Applicability Domain 0.143 Low confidence Statistical Significance 0.1067 Supporting Reference Compounds 2 E-value 830.34
Click to view 3D structure	D-alanyl-D-alanine carboxypeptidase	P39045	Actinomadura sp. (strain R39)	Predicted (SEA)	Prediction Confidence Score 0.108 Applicability Domain 0.108 Low confidence Statistical Significance 0.5649 Supporting Reference Compounds 1 E-value 4397.62
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.128 Low confidence Statistical Significance 0.9986 Supporting Reference Compounds 104 E-value 7774.33
Click to view 3D structure	Prostaglandin G/H synthase 2	P79208	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.122 Low confidence Statistical Significance 0.9867 Supporting Reference Compounds 50 E-value 7681.62
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	Prediction Confidence Score 0.102 Applicability Domain 0.148 Low confidence Statistical Significance 0.9919 Supporting Reference Compounds 40 E-value 7722.02
Click to view 3D structure	Chymotrypsinogen A	P00766	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.099 Applicability Domain 0.13 Low confidence Statistical Significance 0.994 Supporting Reference Compounds 32 E-value 7738.37
Click to view 3D structure	Dipeptidyl peptidase 4	P27487	Humans	Predicted (SEA)	Prediction Confidence Score 0.098 Applicability Domain 0.103 Low confidence Statistical Significance 0.9991 Supporting Reference Compounds 129 E-value 7777.68
Click to view 3D structure	Geranylgeranyl pyrophosphate synthase	O95749	Humans	Predicted (SEA)	Prediction Confidence Score 0.094 Applicability Domain 0.097 Low confidence Statistical Significance 0.8242 Supporting Reference Compounds 15 E-value 6416.41
Click to view 3D structure	Arginase	Q8I384	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.094 Applicability Domain 0.094 Low confidence Statistical Significance 0.0759 Supporting Reference Compounds 1 E-value 590.642
Click to view 3D structure	Farnesyl pyrophosphate synthase	P14324	Humans	Predicted (SEA)	Prediction Confidence Score 0.094 Applicability Domain 0.097 Low confidence Statistical Significance 0.9624 Supporting Reference Compounds 22 E-value 7492.29
Click to view 3D structure	Dipeptidyl peptidase 8	Q6V1X1	Humans	Predicted (SEA)	Prediction Confidence Score 0.094 Applicability Domain 0.103 Low confidence Statistical Significance 0.9979 Supporting Reference Compounds 57 E-value 7768.65
Click to view 3D structure	Dipeptidyl peptidase 2	Q9UHL4	Humans	Predicted (SEA)	Prediction Confidence Score 0.092 Applicability Domain 0.103 Low confidence Statistical Significance 0.9962 Supporting Reference Compounds 41 E-value 7755.73
Click to view 3D structure	Lignostilbene alpha, beta-dioxygenase	O87171	Sphingomonas paucimobilis	Predicted (SEA)	Prediction Confidence Score 0.091 Applicability Domain 0.091 Low confidence Statistical Significance 0.3967 Supporting Reference Compounds 1 E-value 3088.59
Click to view 3D structure	Farnesyl pyrophosphate synthase	Q0GKD7	Leishmania donovani	Predicted (SEA)	Prediction Confidence Score 0.091 Applicability Domain 0.097 Low confidence Statistical Significance 0.8215 Supporting Reference Compounds 14 E-value 6395.31
Click to view 3D structure	Protein-S-isoprenylcysteine O-methyltransferase	Q9WVM4	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.091 Applicability Domain 0.118 Low confidence Statistical Significance 0.2612 Supporting Reference Compounds 2 E-value 2033.34
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.09 Applicability Domain 0.094 Low confidence Statistical Significance 0.9995 Supporting Reference Compounds 192 E-value 7781.34
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.09 Applicability Domain 0.094 Low confidence Statistical Significance 0.9992 Supporting Reference Compounds 127 E-value 7778.93