Escin Ia (CED0023229)

Record Information

Version

1.0

Creation Date

2026-04-06 01:16:53 UTC

Update Date

2026-05-21 00:30:56 UTC

SynCED ID

CED0023229

Secondary Accession Numbers

CHEM114182

Identification

Common Name

Escin Ia

Class

Small Molecule

Description

Escin Ia is a chemical compound with the molecular formula C55H86O24. Escin Ia belongs to the terpene glycosides, a subclass of prenol lipids within the organic compounds. With an average molecular weight of 1,131 g/mol, Escin Ia is a heavy molecule. The compound has been identified in or released from 13 recorded sources across several sectors. Within Electrical & Electronic Equipment, it is found in batteries, capacitors, printed circuit boards, cell phones, wires and cables, and one additional source. In the Textiles, leather & furnishings sector, it is associated with synthetic textiles as well as carpets and rugs. It is also present in food packaging within the Food, food processing & cookware sector, and in medical devices under Healthcare, pharmaceuticals & veterinary products. Additionally, Escin Ia is found in lubricants used in both the Energy, oil & gas sector and the Industrial manufacturing & chemical processing sector, as well as one other sector. Recorded routes of exposure for this compound include oral ingestion, inhalation, and touch.

Contaminant Type

PFAS
Phytotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅₅H₈₆O₂₄

Average Molecular Mass

1131.269 g/mol

Monoisotopic Mass

Not Available

CAS Registry Number

123748-68-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[H][C@]1(CO)O[C@@]([H])(O[C@]2([H])[C@@H](O)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]([H])(O[C@@]2([H])O[C@@]2([H])CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)[C@@]([H])(OC(=O)C(C)=CC)[C@]([H])(OC(C)=O)[C@]5(CO)[C@H](O)C[C@@]43C)[C@@]2(C)CO)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1

InChI Key

AXNVHPCVMSNXNP-IVKVKCDBSA-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

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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.	Electrical & Electronic Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.	Electrical & Electronic Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.	Textiles, leather & furnishings	Not Available
CEDs000454	Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.	Textiles, leather & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	Not Available
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	Not Available

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	CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1	P54751	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.62 Applicability Domain 0.62 Statistical Significance 1.00e-05 Supporting Reference Compounds 1 E-value 0.0778492
Click to view 3D structure	Solute carrier organic anion transporter family member 1B2	Q9QZX8	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.352 Applicability Domain 0.352 Statistical Significance 2.00e-04 Supporting Reference Compounds 1 E-value 1.55698
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.342 Applicability Domain 0.377 Statistical Significance 0.004 Supporting Reference Compounds 197 E-value 31.2175
Click to view 3D structure	FUN14 domain-containing protein 1	Q8IVP5	Humans	Predicted (SEA)	Prediction Confidence Score 0.327 Applicability Domain 0.327 Statistical Significance 4.80e-04 Supporting Reference Compounds 1 E-value 3.73676
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 2	P17706	Humans	Predicted (SEA)	Prediction Confidence Score 0.319 Applicability Domain 0.327 Statistical Significance 0.0013 Supporting Reference Compounds 60 E-value 9.88685
Click to view 3D structure	CD44 antigen	P16070	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.308 Statistical Significance 1.70e-04 Supporting Reference Compounds 1 E-value 1.32344
Click to view 3D structure	CD44 antigen	P15379	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.308 Statistical Significance 1.70e-04 Supporting Reference Compounds 1 E-value 1.32344
Click to view 3D structure	Hemagglutinin	B4URE7	Influenza A virus	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.391 Statistical Significance 3.10e-04 Supporting Reference Compounds 2 E-value 2.41333
Click to view 3D structure	G-protein coupled bile acid receptor 1	Q8TDU6	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.339 Statistical Significance 0.0054 Supporting Reference Compounds 54 E-value 42.1164
Click to view 3D structure	C-C chemokine receptor type 6	P51684	Humans	Predicted (SEA)	Prediction Confidence Score 0.293 Applicability Domain 1.0 Statistical Significance 5.00e-04 Supporting Reference Compounds 19 E-value 3.89246
Click to view 3D structure	Apelin receptor	P35414	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 1.0 Statistical Significance 0.0042 Supporting Reference Compounds 51 E-value 32.9302
Click to view 3D structure	C-X-C chemokine receptor type 5	P32302	Humans	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 1.0 Statistical Significance 3.00e-05 Supporting Reference Compounds 7 E-value 0.233548
Click to view 3D structure	Bile acid receptor	Q96RI1	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.339 Statistical Significance 0.0105 Supporting Reference Compounds 94 E-value 81.6638
Click to view 3D structure	Tissue factor	P13726	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.377 Statistical Significance 0.006 Supporting Reference Compounds 29 E-value 46.9431
Click to view 3D structure	Aldo-keto reductase family 1 member B10	O60218	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.327 Statistical Significance 0.0075 Supporting Reference Compounds 49 E-value 58.0755
Click to view 3D structure	Protease	Q9YQ12	Human immunodeficiency virus 1	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.327 Statistical Significance 0.0067 Supporting Reference Compounds 31 E-value 51.8476
Click to view 3D structure	11-beta-hydroxysteroid dehydrogenase 1	P28845	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.352 Statistical Significance 0.0053 Supporting Reference Compounds 76 E-value 41.1044
Click to view 3D structure	Glycogen [starch] synthase, liver	P54840	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.263 Low confidence Statistical Significance 6.80e-04 Supporting Reference Compounds 1 E-value 5.29375
Click to view 3D structure	Glucose-6-phosphatase catalytic subunit 1	P43428	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.263 Low confidence Statistical Significance 6.80e-04 Supporting Reference Compounds 1 E-value 5.29375
Click to view 3D structure	N-acetyllactosaminide alpha-1,3-galactosyltransferase	P50127	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.254 Low confidence Statistical Significance 9.20e-04 Supporting Reference Compounds 1 E-value 7.16213
Click to view 3D structure	11-beta-hydroxysteroid dehydrogenase type 2	P80365	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.352 Statistical Significance 0.0024 Supporting Reference Compounds 32 E-value 19.0731
Click to view 3D structure	Cholesteryl ester transfer protein	P11597	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.325 Statistical Significance 0.003 Supporting Reference Compounds 18 E-value 23.2769
Click to view 3D structure	Chitin synthase 1	P08004	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.387 Statistical Significance 1.90e-04 Supporting Reference Compounds 2 E-value 1.47914
Click to view 3D structure	Pyruvate carboxylase, mitochondrial	P11498	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.341 Statistical Significance 3.30e-04 Supporting Reference Compounds 2 E-value 2.56902
Click to view 3D structure	Transient receptor potential cation channel subfamily M member 2	E9PTA2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.239 Low confidence Statistical Significance 3.50e-04 Supporting Reference Compounds 1 E-value 2.72472