3,3P-Dihydroxyflavone (CED0162609)

Record Information

Version

1.0

Creation Date

2026-04-06 09:11:43 UTC

Update Date

2026-05-21 09:30:48 UTC

SynCED ID

CED0162609

Secondary Accession Numbers

CHEM121269

Identification

Common Name

3,3P-Dihydroxyflavone

Class

Small Molecule

Description

3,3P-Dihydroxyflavone belongs to the flavones, a subclass of flavonoids within the organic compounds. This substance is categorized within the superclass of phenylpropanoids and polyketides. The compound is found in or released from 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also present in textiles, leather and furnishings, specifically within carpets, rugs, and synthetic textiles. In the food, food processing and cookware sector, it is found in food packaging. Additionally, it is identified in medical devices within the healthcare, pharmaceuticals and veterinary products sector. The compound is further linked to lubricants used in energy, oil and gas, as well as industrial manufacturing and chemical processing. One additional sector is also recorded as a source. Recorded exposure routes for 3,3P-Dihydroxyflavone 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

55977-09-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C15H10O4/c16-10-5-3-4-9(8-10)15-14(18)13(17)11-6-1-2-7-12(11)19-15/h1-8,16,18H

InChI Key

QZESEGHSLFKZIV-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-05fr-4439000000-dd6dc02e727265afe841	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0zir-2950000000-a3c3698dc7f32d2481e0	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0090000000-6e45b6cacff66f4c3b25	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0090000000-e844d6b621deec24358a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0bvi-9400000000-0692e880140b959c23f5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0090000000-702f93e00e99cd23b053	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0190000000-bfe5f1fe9c9529b23a1c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0059-6920000000-32675b108a6f33c02a13	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0090000000-516ae2d4c4c35b342533	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0590000000-388e5da1fc8c0ceb8dfb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0gb9-4910000000-c5d1bf92ab66a33f4ad7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0090000000-7547dcf3c2a7b5109737	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0090000000-c718d7e02e3d55eb47bd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05fr-2930000000-1431eb521063c4d2097c	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1417.0 Log mg/kg [800:2500]	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	Pyruvate kinase PKM	P14618	Humans	Predicted (SEA)	Prediction Confidence Score 0.501 Applicability Domain 0.743 Statistical Significance 3.00e-05 Supporting Reference Compounds 29 E-value 0.233548
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.497 Applicability Domain 0.743 Statistical Significance 0.0017 Supporting Reference Compounds 472 E-value 13.0787
Click to view 3D structure	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	Prediction Confidence Score 0.497 Applicability Domain 0.743 Statistical Significance 5.80e-04 Supporting Reference Compounds 88 E-value 4.51525
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.497 Applicability Domain 0.743 Statistical Significance 0.0011 Supporting Reference Compounds 332 E-value 8.40772
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.497 Applicability Domain 0.743 Statistical Significance 0.0014 Supporting Reference Compounds 407 E-value 10.9767
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	Prediction Confidence Score 0.494 Applicability Domain 0.743 Statistical Significance 5.50e-04 Supporting Reference Compounds 139 E-value 4.28171
Click to view 3D structure	Gag-Pol polyprotein	Q7ZJM1	Human immunodeficiency virus 1	Predicted (SEA)	Prediction Confidence Score 0.474 Applicability Domain 0.558 Statistical Significance 7.00e-04 Supporting Reference Compounds 96 E-value 5.44945
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.471 Applicability Domain 0.743 Statistical Significance 0.002 Supporting Reference Compounds 372 E-value 15.3363
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.461 Applicability Domain 0.558 Statistical Significance 0.0042 Supporting Reference Compounds 406 E-value 32.3853
Click to view 3D structure	Xanthine dehydrogenase/oxidase	P47989	Humans	Predicted (SEA)	Prediction Confidence Score 0.458 Applicability Domain 0.558 Statistical Significance 2.70e-04 Supporting Reference Compounds 37 E-value 2.10193
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.442 Applicability Domain 0.5 Statistical Significance 0.0054 Supporting Reference Compounds 221 E-value 42.1164
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.436 Applicability Domain 0.558 Statistical Significance 0.0048 Supporting Reference Compounds 553 E-value 37.679
Click to view 3D structure	Poly [ADP-ribose] polymerase tankyrase-1	O95271	Humans	Predicted (SEA)	Prediction Confidence Score 0.434 Applicability Domain 0.488 Statistical Significance 0.0011 Supporting Reference Compounds 94 E-value 8.95266
Click to view 3D structure	3-oxoacyl-acyl-carrier protein reductase	Q965D6	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.433 Applicability Domain 0.558 Statistical Significance 1.30e-04 Supporting Reference Compounds 12 E-value 1.01204
Click to view 3D structure	Alpha-ketoglutarate-dependent dioxygenase FTO	Q9C0B1	Humans	Predicted (SEA)	Prediction Confidence Score 0.43 Applicability Domain 0.558 Statistical Significance 2.50e-04 Supporting Reference Compounds 36 E-value 1.94623
Click to view 3D structure	Enoyl-acyl-carrier protein reductase	Q965D5	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.429 Applicability Domain 0.558 Statistical Significance 1.70e-04 Supporting Reference Compounds 18 E-value 1.32344
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.429 Applicability Domain 0.692 Statistical Significance 0.0119 Supporting Reference Compounds 1029 E-value 92.7184
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.428 Applicability Domain 0.5 Statistical Significance 0.0022 Supporting Reference Compounds 241 E-value 17.1268
Click to view 3D structure	D-alanine--D-alanine ligase	Q1CTD3	Helicobacter pylori (strain HPAG1)	Predicted (SEA)	Prediction Confidence Score 0.426 Applicability Domain 0.426 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Aldo-keto reductase family 1 member C21	Q91WR5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.426 Applicability Domain 0.426 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.424 Applicability Domain 0.5 Statistical Significance 0.0064 Supporting Reference Compounds 793 E-value 49.9792
Click to view 3D structure	Cytochrome P450 1A1	P04798	Humans	Predicted (SEA)	Prediction Confidence Score 0.421 Applicability Domain 0.5 Statistical Significance 0.0011 Supporting Reference Compounds 77 E-value 8.32987
Click to view 3D structure	Multidrug resistance-associated protein 1	P33527	Humans	Predicted (SEA)	Prediction Confidence Score 0.418 Applicability Domain 0.548 Statistical Significance 4.40e-04 Supporting Reference Compounds 49 E-value 3.42537
Click to view 3D structure	Adenosine receptor A2a	P30543	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.418 Applicability Domain 0.5 Statistical Significance 0.0062 Supporting Reference Compounds 174 E-value 48.3444
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.415 Applicability Domain 0.5 Statistical Significance 0.0256 Supporting Reference Compounds 1274 E-value 199.138