Phloxine B (CED0008492)

Record Information

Version

1.0

Creation Date

2026-04-14 19:35:19 UTC

Update Date

2026-05-14 19:38:23 UTC

Accession Number

CHEM132011

Identification

Common Name

Phloxine B

Class

Small Molecule

Description

Phloxine B is an organoheterocyclic compound with the chemical formula C20H2Br4Cl4Na2O5. Phloxine B belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. With an average molecular weight of 829.63 g/mol, Phloxine B is a heavy molecule. This compound is utilized as an industrial dye. It has been identified in four recorded sources, including food, food processing and cookware, specifically in the treatment of hops. Additionally, Phloxine B is found in electrical and electronic equipment, such as antennas, amplifiers, and gas filled discharge tubes with solid cathode.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₀H₂Br₄Cl₄Na₂O₅

Average Molecular Mass

829.630 g/mol

Monoisotopic Mass

829.511 g/mol

CAS Registry Number

18472-87-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1=C2C(=C(C(=C1Br)[O-])Br)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)Br)[O-])Br.[Na+].[Na+]

InChI Identifier

InChI=1S/C20H4Br4Cl4O5.2Na/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29;;/h1-2,29H,(H,31,32);;/q;2*+1/p-2

InChI Key

GVKCHTBDSMQENH-UHFFFAOYSA-L

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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1198.0	Log mg/kg	[670:2100]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
553	Treatment Of Hops	Food, food processing & cookware	Not Available
583	Anchoring Equipment	Marine, shipping & aquaculture	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available

Pathways

2 pathways

Phloxine B Drug Metabolism

Phloxine B Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Thymidylate synthase	P00469	Lactobacillus casei	Predicted (SEA)	55.5065
Click to view 3D structure	Thymidylate synthase	P0CS13	Cryptococcus neoformans var. neoformans B-3501A	Predicted (SEA)	5.83869
Click to view 3D structure	Thymidylate synthase	C3SWJ7	Escherichia coli	Predicted (SEA)	64.6149
Click to view 3D structure	Protein translocase subunit SecA 2	Q2FUW6	Staphylococcus aureus (strain NCTC 8325)	Predicted (SEA)	0.311397
Click to view 3D structure	Thymidylate synthase	P04818	Humans	Predicted (SEA)	593.99
Click to view 3D structure	Thymidylate synthase	P0A884	Escherichia coli (strain K12)	Predicted (SEA)	17.9832
Click to view 3D structure	Dihydrofolate reductase	P00374	Humans	Predicted (SEA)	2783.03
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	6605.66
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	6253.63
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	6389.71
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	6215.25
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	6668.18
Click to view 3D structure	P2Y purinoceptor 4	P51582	Humans	Predicted (SEA)	987.751
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	6636.88
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	6641.78
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	7682.86
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	7588.66
Click to view 3D structure	Mitochondrial import inner membrane translocase subunit TIM23	P32897	Saccharomyces cerevisiae S288c	Predicted (SEA)	5122.09
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	7542.97
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	7638.18
Click to view 3D structure	ATP-binding cassette sub-family C member 9	O60706	Humans	Predicted (SEA)	251.297
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	6372.74
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	5548.31
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	5730.17
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	3226.38