10-[(2r,3r,5r,6s)-3-hydroxy-5-(1h-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxydecanoic acid (CED0293490)

Record Information

Version

1.0

Creation Date

2026-08-31 04:22:43 UTC

Update Date

2026-08-31 04:22:43 UTC

SynCED ID

CED0293490

Secondary Accession Numbers

CHEM339003

Identification

Common Name

10-[(2r,3r,5r,6s)-3-hydroxy-5-(1h-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxydecanoic acid

Class

Small Molecule

Description

10-[(2r,3r,5r,6s)-3-hydroxy-5-(1h-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxydecanoic acid is a chemical compound with the formula C25H35NO7. It has an average molecular weight of 461.50 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₅H₃₅NO₇

Average Molecular Mass

Not Available

Monoisotopic Mass

461.241 g/mol

CAS Registry Number

1355683-15-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1C(CC(C(O1)OCCCCCCCCCC(=O)O)O)OC(=O)C2=CNC3=CC=CC=C32

InChI Identifier

InChI=1S/C25H35NO7/c1-17-22(33-24(30)19-16-26-20-12-9-8-11-18(19)20)15-21(27)25(32-17)31-14-10-6-4-2-3-5-7-13-23(28)29/h8-9,11-12,16-17,21-22,25-27H,2-7,10,13-15H2,1H3,(H,28,29)/t17-,21+,22+,25+/m0/s1

InChI Key

FVKMIXWYNVQFGG-DZBFJFRRSA-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
3891.0 Log mg/kg [2200:6900]	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
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
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	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

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 0.343 Applicability Domain 0.42 Statistical Significance 0.004 Supporting Reference Compounds 77 E-value 31.0618
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	Q05941	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.325 Applicability Domain 0.42 Statistical Significance 0.0014 Supporting Reference Compounds 55 E-value 11.0546
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P49582	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.312 Applicability Domain 0.42 Statistical Significance 1.30e-04 Supporting Reference Compounds 8 E-value 1.01204
Click to view 3D structure	Long-chain-fatty-acid--CoA ligase 6	Q9UKU0	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.303 Statistical Significance 0.0014 Supporting Reference Compounds 1 E-value 10.6653
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.42 Statistical Significance 0.1296 Supporting Reference Compounds 953 E-value 1009.08
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.42 Statistical Significance 0.1131 Supporting Reference Compounds 593 E-value 880.63
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.42 Statistical Significance 0.0557 Supporting Reference Compounds 266 E-value 433.854
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.347 Statistical Significance 0.3988 Supporting Reference Compounds 1538 E-value 3104.55
Click to view 3D structure	Substance-P receptor	P25103	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.356 Statistical Significance 0.0598 Supporting Reference Compounds 122 E-value 465.772
Click to view 3D structure	Somatostatin receptor type 4	P31391	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.356 Statistical Significance 0.0209 Supporting Reference Compounds 55 E-value 163.094
Click to view 3D structure	Somatostatin receptor type 3	P32745	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.356 Statistical Significance 0.0264 Supporting Reference Compounds 57 E-value 205.522
Click to view 3D structure	Cytosolic phospholipase A2	A4IFJ5	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.263 Low confidence Statistical Significance 0.0028 Supporting Reference Compounds 1 E-value 22.0313
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.42 Statistical Significance 0.1315 Supporting Reference Compounds 528 E-value 1023.8
Click to view 3D structure	5-hydroxytryptamine receptor 3A	P46098	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.42 Statistical Significance 0.063 Supporting Reference Compounds 228 E-value 490.217
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.347 Statistical Significance 0.3718 Supporting Reference Compounds 1130 E-value 2894.28
Click to view 3D structure	Somatostatin receptor type 1	P30872	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.356 Statistical Significance 0.024 Supporting Reference Compounds 48 E-value 187.15
Click to view 3D structure	Endothelin-converting enzyme 1	P42891	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.319 Statistical Significance 0.0103 Supporting Reference Compounds 3 E-value 79.8733
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.347 Statistical Significance 0.456 Supporting Reference Compounds 1245 E-value 3550.16
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	P43116	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.275 Low confidence Statistical Significance 0.0216 Supporting Reference Compounds 95 E-value 168.154
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P43115	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.275 Low confidence Statistical Significance 0.0294 Supporting Reference Compounds 102 E-value 228.721
Click to view 3D structure	Thromboxane A2 receptor	P21731	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.275 Low confidence Statistical Significance 0.0287 Supporting Reference Compounds 96 E-value 223.116
Click to view 3D structure	Prostaglandin F2-alpha receptor	P43088	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.275 Low confidence Statistical Significance 0.0124 Supporting Reference Compounds 50 E-value 96.533
Click to view 3D structure	Melanocortin receptor 4	P32245	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.271 Low confidence Statistical Significance 0.0442 Supporting Reference Compounds 96 E-value 344.016
Click to view 3D structure	Melanocyte-stimulating hormone receptor	Q01727	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.271 Low confidence Statistical Significance 0.0332 Supporting Reference Compounds 31 E-value 258.615
Click to view 3D structure	Prostacyclin receptor	P43119	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.275 Low confidence Statistical Significance 0.0155 Supporting Reference Compounds 63 E-value 120.588