3-Hydroxy-6-methyl-3p,4p-methylenedioxyflavone (CED0081110)

Record Information

Version

1.0

Creation Date

2026-04-06 09:27:00 UTC

Update Date

2026-05-21 10:17:16 UTC

SynCED ID

CED0081110

Secondary Accession Numbers

CHEM121609

Identification

Common Name

3-Hydroxy-6-methyl-3p,4p-methylenedioxyflavone

Class

Small Molecule

Description

3-Hydroxy-6-methyl-3p,4p-methylenedioxyflavone belongs to the flavones, a subclass of flavonoids within the organic compounds. This substance is categorized under the superclass of phenylpropanoids and polyketides. The compound is found in or released from 13 recorded sources spanning several sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is linked to synthetic textiles as well as carpets and rugs. Its presence is also recorded in food packaging under the food, food processing and cookware sector. Additionally, it is found in medical devices within the healthcare, pharmaceuticals and veterinary products sector. In the energy, oil and gas sector, as well as the industrial manufacturing and chemical processing sector, the compound is associated with lubricants. One other sector is also recorded as a source. Recorded exposure routes for 3-Hydroxy-6-methyl-3p,4p-methylenedioxyflavone include inhalation, oral, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

Not Available

Average Molecular Mass

Not Available

Monoisotopic Mass

Not Available

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C17H12O5/c1-9-2-4-12-11(6-9)15(18)16(19)17(22-12)10-3-5-13-14(7-10)21-8-20-13/h2-7,19H,8H2,1H3

InChI Key

KWAOBWWDFBQFGR-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

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
3976.0 Log mg/kg [2200:7100]	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
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

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	Gag-Pol polyprotein	Q7ZJM1	Human immunodeficiency virus 1	Predicted (SEA)	Prediction Confidence Score 0.367 Applicability Domain 0.415 Statistical Significance 0.0024 Supporting Reference Compounds 96 E-value 18.4503
Click to view 3D structure	D-alanine--D-alanine ligase	Q1CTD3	Helicobacter pylori (strain HPAG1)	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 3.00e-04 Supporting Reference Compounds 1 E-value 2.33548
Click to view 3D structure	Aldo-keto reductase family 1 member C21	Q91WR5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 3.00e-04 Supporting Reference Compounds 1 E-value 2.33548
Click to view 3D structure	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	Prediction Confidence Score 0.363 Applicability Domain 0.408 Statistical Significance 0.003 Supporting Reference Compounds 88 E-value 23.5105
Click to view 3D structure	Xanthine dehydrogenase/oxidase	P47989	Humans	Predicted (SEA)	Prediction Confidence Score 0.36 Applicability Domain 0.415 Statistical Significance 9.00e-04 Supporting Reference Compounds 37 E-value 7.00643
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	Prediction Confidence Score 0.359 Applicability Domain 0.408 Statistical Significance 0.0043 Supporting Reference Compounds 139 E-value 33.6309
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.359 Applicability Domain 0.408 Statistical Significance 0.0145 Supporting Reference Compounds 472 E-value 113.115
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.359 Applicability Domain 0.408 Statistical Significance 0.0108 Supporting Reference Compounds 332 E-value 83.8436
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.359 Applicability Domain 0.408 Statistical Significance 0.0128 Supporting Reference Compounds 407 E-value 99.3356
Click to view 3D structure	3-oxoacyl-acyl-carrier protein reductase	Q965D6	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.353 Applicability Domain 0.415 Statistical Significance 6.00e-04 Supporting Reference Compounds 12 E-value 4.67095
Click to view 3D structure	Inositol hexakisphosphate kinase 2	Q9UHH9	Humans	Predicted (SEA)	Prediction Confidence Score 0.346 Applicability Domain 0.364 Statistical Significance 8.20e-04 Supporting Reference Compounds 13 E-value 6.38364
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.345 Applicability Domain 0.364 Statistical Significance 0.0246 Supporting Reference Compounds 793 E-value 191.509
Click to view 3D structure	Cytochrome P450 1A1	P04798	Humans	Predicted (SEA)	Prediction Confidence Score 0.345 Applicability Domain 0.364 Statistical Significance 0.0031 Supporting Reference Compounds 77 E-value 23.8219
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.345 Applicability Domain 0.415 Statistical Significance 0.0234 Supporting Reference Compounds 553 E-value 182.323
Click to view 3D structure	Enoyl-acyl-carrier protein reductase	Q965D5	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.345 Applicability Domain 0.415 Statistical Significance 6.20e-04 Supporting Reference Compounds 18 E-value 4.82665
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.341 Applicability Domain 0.415 Statistical Significance 0.018 Supporting Reference Compounds 406 E-value 140.284
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.336 Applicability Domain 0.364 Statistical Significance 0.0106 Supporting Reference Compounds 242 E-value 82.2088
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.336 Applicability Domain 0.364 Statistical Significance 0.0076 Supporting Reference Compounds 193 E-value 59.0876
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.451 Statistical Significance 0.056 Supporting Reference Compounds 1029 E-value 436.267
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	Prediction Confidence Score 0.329 Applicability Domain 0.364 Statistical Significance 0.0041 Supporting Reference Compounds 84 E-value 31.996
Click to view 3D structure	ATP-dependent translocase ABCB1	P21447	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.329 Applicability Domain 0.352 Statistical Significance 4.10e-04 Supporting Reference Compounds 23 E-value 3.19182
Click to view 3D structure	Ribosomal protein S6 kinase alpha-3	P51812	Humans	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.415 Statistical Significance 0.0466 Supporting Reference Compounds 733 E-value 362.777
Click to view 3D structure	Amyloid-beta precursor protein	P05067	Humans	Predicted (SEA)	Prediction Confidence Score 0.327 Applicability Domain 0.364 Statistical Significance 0.0077 Supporting Reference Compounds 109 E-value 60.2553
Click to view 3D structure	Alpha-ketoglutarate-dependent dioxygenase FTO	Q9C0B1	Humans	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.415 Statistical Significance 0.0011 Supporting Reference Compounds 36 E-value 8.95266
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.364 Statistical Significance 0.082 Supporting Reference Compounds 1274 E-value 638.364