3-Methoxy-2-phenyl-4H-furo[2,3-h][1]benzopyran-4-one (CED0115809)

Record Information

Version

1.0

Creation Date

2026-04-04 19:29:39 UTC

Update Date

2026-08-19 22:51:21 UTC

SynCED ID

CED0115809

Secondary Accession Numbers

CHEM079443

Identification

Common Name

3-Methoxy-2-phenyl-4H-furo[2,3-h][1]benzopyran-4-one

Class

Small Molecule

Description

3-Methoxy-2-phenyl-4H-furo[2,3-h][1]benzopyran-4-one belongs to the flavones, a subclass of flavonoids within the organic compounds. It is categorized under the superclass of phenylpropanoids and polyketides. This compound has the chemical formula C18H12O4 and an average molecular weight of 292.29 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₁₂O₄

Average Molecular Mass

292.290 g/mol

Monoisotopic Mass

292.074 g/mol

CAS Registry Number

521-88-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

COC1=C(OC2=C(C=CC3=C2C=CO3)C1=O)C1=CC=CC=C1

InChI Identifier

InChI=1/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3

InChI Key

LKPQNZRGGNOPPU-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

antioxidant (PMC12475202 , PMC12475202 )?
hypoglycemic agent (PMC12475202 )?

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	splash10-0006-3970000000-e65275622692048d0e04	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0006-0090000000-db6c5f184e85e76b2450	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004l-0090000000-9b07f8cc5230db626a2f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-0290000000-9ea9f956c0874fa63f08	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0006-0090000000-3c42dc530e978b548549	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-002f-0090000000-5c03a6944b367d1e7bcd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-0190000000-a3908cc37f0f91217b93	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0090000000-28779ecfd607cc40b523	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0090000000-28779ecfd607cc40b523	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f9y-0890000000-e576d88a561ac6c87d0c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0090000000-69c710632e690bc9462e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0090000000-69c710632e690bc9462e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0090000000-9873cea289e98e80adda	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1877.0 Log mg/kg [1100:3300]	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
Alzheimer's disease	Has Therapeutic Effect On	Not Available	A neurodegenerative disease which causes neural atrophy, leading to dementia and memory loss.	PMC12475202
cognitive impairment	Has Therapeutic Effect On	Not Available	Not Available	PMC12475202
Toxic encephalopathy	Has Therapeutic Effect On	Not Available	Not Available	PMC12475202 , PMC12475202
Neurodegenerative Diseases	Has Therapeutic Effect On	Not Available	Not Available	PMC12475202

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
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000598	Fertiliser Distributors?Fertiliser distributors play a critical role in the supply of synthetic fertilizers, which are widely used to enhance soil fertility and crop yield.	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
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	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
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
CEDs000673	Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.	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
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
CEDs02261	Sea Water	Aquatic systems & sediments	PMC12475202

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	Poly [ADP-ribose] polymerase tankyrase-1	O95271	Humans	Predicted (SEA)	Prediction Confidence Score 0.388 Applicability Domain 0.605 Statistical Significance 0.0018 Supporting Reference Compounds 94 E-value 13.935
Click to view 3D structure	Broad substrate specificity ATP-binding cassette transporter ABCG2	Q9UNQ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.355 Applicability Domain 0.605 Statistical Significance 0.0073 Supporting Reference Compounds 126 E-value 57.1413
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.344 Applicability Domain 0.429 Statistical Significance 0.025 Supporting Reference Compounds 793 E-value 194.39
Click to view 3D structure	Potassium voltage-gated channel subfamily A member 7	Q96RP8	Humans	Predicted (SEA)	Prediction Confidence Score 0.339 Applicability Domain 0.339 Statistical Significance 2.00e-04 Supporting Reference Compounds 1 E-value 1.55698
Click to view 3D structure	Cytochrome P450 1A1	P04798	Humans	Predicted (SEA)	Prediction Confidence Score 0.334 Applicability Domain 0.429 Statistical Significance 0.0037 Supporting Reference Compounds 77 E-value 28.6485
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.323 Applicability Domain 0.429 Statistical Significance 0.059 Supporting Reference Compounds 1130 E-value 459.077
Click to view 3D structure	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	Prediction Confidence Score 0.323 Applicability Domain 0.367 Statistical Significance 0.0053 Supporting Reference Compounds 88 E-value 41.6493
Click to view 3D structure	Potassium voltage-gated channel subfamily A member 5	P22460	Humans	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.339 Statistical Significance 5.20e-04 Supporting Reference Compounds 37 E-value 4.04816
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.314 Applicability Domain 0.429 Statistical Significance 0.12 Supporting Reference Compounds 1538 E-value 934.035
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.367 Statistical Significance 0.0151 Supporting Reference Compounds 221 E-value 117.708
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.383 Statistical Significance 0.0174 Supporting Reference Compounds 241 E-value 135.847
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.367 Statistical Significance 0.0392 Supporting Reference Compounds 472 E-value 305.558
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.367 Statistical Significance 0.0269 Supporting Reference Compounds 332 E-value 209.414
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.367 Statistical Significance 0.033 Supporting Reference Compounds 407 E-value 256.825
Click to view 3D structure	Potassium voltage-gated channel subfamily A member 1	Q09470	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.339 Statistical Significance 5.20e-04 Supporting Reference Compounds 10 E-value 4.04816
Click to view 3D structure	Pyruvate kinase PKM	P14618	Humans	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 0.367 Statistical Significance 0.0015 Supporting Reference Compounds 29 E-value 11.5217
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.367 Statistical Significance 0.0186 Supporting Reference Compounds 139 E-value 144.644
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.367 Statistical Significance 0.0349 Supporting Reference Compounds 372 E-value 272.083
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.358 Statistical Significance 0.0092 Supporting Reference Compounds 127 E-value 72.0105
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.383 Statistical Significance 0.0384 Supporting Reference Compounds 315 E-value 298.785
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.429 Statistical Significance 0.0882 Supporting Reference Compounds 825 E-value 687.019
Click to view 3D structure	Adenosine receptor A2a	P30543	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.309 Statistical Significance 0.0186 Supporting Reference Compounds 174 E-value 144.955
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.429 Statistical Significance 0.1925 Supporting Reference Compounds 1245 E-value 1498.6
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.346 Statistical Significance 0.0609 Supporting Reference Compounds 406 E-value 474.024
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.328 Statistical Significance 0.2279 Supporting Reference Compounds 1274 E-value 1774.18
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Known	Not Available