9H-Xanthen-9-one, 1-hydroxy-3,6-dimethoxy-8-methyl- (CED0172981)

Record Information

Version

1.0

Creation Date

2026-04-06 16:57:54 UTC

Update Date

2026-04-06 16:57:54 UTC

Accession Number

CHEM127948

Identification

Common Name

9H-Xanthen-9-one, 1-hydroxy-3,6-dimethoxy-8-methyl-

Class

Small Molecule

Description

9H-Xanthen-9-one, 1-hydroxy-3,6-dimethoxy-8-methyl- is an organic compound with the chemical formula C16H14O5 and an average molecular weight of 286.28 g/mol. 9H-Xanthen-9-one, 1-hydroxy-3,6-dimethoxy-8-methyl- belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This substance has been found in or released from nine recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, amplifiers, loudspeakers, gas filled discharge tubes with solid cathode, and discharge tubes with liquid pool cathodes, among one additional source. In the realm of building and construction, the compound is linked to tents or canopies and ladders. Furthermore, it is found in food, food processing and cookware, specifically in the preparation of malt.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₁₄O₅

Average Molecular Mass

286.283 g/mol

Monoisotopic Mass

286.084 g/mol

CAS Registry Number

15222-53-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C16H14O5/c1-8-4-9(19-2)6-12-14(8)16(18)15-11(17)5-10(20-3)7-13(15)21-12/h4-7,17H,1-3H3

InChI Key

QDLAGTHXVHQKRE-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

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
2107.0	Log mg/kg	[1200:3700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
498	Ladders	Building & Construction	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
515	Discharge Tubes With Liquid Pool Cathodes	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
526	Loudspeakers	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
547	Preparation Of Malt	Food, food processing & cookware	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
634	Buckles	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
639	Degreasing Leather	Textiles, leather & furnishings	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
641	Foam Dyeing	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
648	Nitro Dyes	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	Not Available
658	Touch Fasteners	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	7.47353
Click to view 3D structure	Cytochrome P450 1A1	P04798	Humans	Predicted (SEA)	5.91654
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	52.4704
Click to view 3D structure	Inositol hexakisphosphate kinase 2	Q9UHH9	Humans	Predicted (SEA)	2.80257
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	45.931
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	179.053
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	124.87
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	19.2288
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	10.5096
Click to view 3D structure	Amyloid-beta precursor protein	P05067	Humans	Predicted (SEA)	24.3668
Click to view 3D structure	Glutathione reductase	P41921	Saccharomyces cerevisiae S288c	Predicted (SEA)	0.0778492
Click to view 3D structure	NADPH oxidase 4	Q9NPH5	Humans	Predicted (SEA)	3.26967
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	38.224
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	56.8299
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	69.6751
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	27.87
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	78.3163
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	21.8756
Click to view 3D structure	Xanthine dehydrogenase/oxidase	P47989	Humans	Predicted (SEA)	6.07224
Click to view 3D structure	Inositol polyphosphate multikinase	Q8NFU5	Humans	Predicted (SEA)	3.03612
Click to view 3D structure	Multidrug resistance-associated protein 1	P33527	Humans	Predicted (SEA)	5.60514
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	21.7978
Click to view 3D structure	Protein E6	P03126	Human papillomavirus type 16	Predicted (SEA)	1.01204
Click to view 3D structure	Tyrosine-protein kinase transforming protein Fps	P00530	Fujinami sarcoma virus	Predicted (SEA)	1.08989
Click to view 3D structure	MAP kinase-interacting serine/threonine-protein kinase 2	Q9HBH9	Humans	Predicted (SEA)	131.254