[5-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)methyl]-2-hydroxy-4-methoxyphenyl]-phenylmethanone (CED0106397)

Record Information

Version

1.0

Creation Date

2026-08-22 08:47:36 UTC

Update Date

2026-08-22 08:47:36 UTC

Accession Number

CHEM212287

Identification

Common Name

[5-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)methyl]-2-hydroxy-4-methoxyphenyl]-phenylmethanone

Class

Small Molecule

Description

[5-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)methyl]-2-hydroxy-4-methoxyphenyl]-phenylmethanone belongs to the linear diarylheptanoids, a subclass of diarylheptanoids within the organic compounds. This compound has the chemical formula C29H24O6 and an average molecular weight of 468.50 g/mol. It is classified under the superclass of phenylpropanoids and polyketides. The substance has been found in or released from three recorded sources, specifically electrical and electronic equipment. These sources include antennas, communication cables or conductors, and gas filled discharge tubes with solid cathodes.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₉H₂₄O₆

Average Molecular Mass

468.500 g/mol

Monoisotopic Mass

468.157 g/mol

CAS Registry Number

68716-15-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C29H24O6/c1-34-26-16-24(30)22(28(32)18-9-5-3-6-10-18)14-20(26)13-21-15-23(25(31)17-27(21)35-2)29(33)19-11-7-4-8-12-19/h3-12,14-17,30-31H,13H2,1-2H3

InChI Key

DCBNMBIOGUANTC-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
2315.0	Log mg/kg	[1300:4100]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
630	Toys	Recreation & sports surfaces	Not Available
634	Buckles	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
652	Ropes	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	Transcription factor p65	Q04207	Mus musculus	Predicted (SEA)	2.10193
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	102.294
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	94.1197
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	113.193
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	48.3444
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	142.308
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	69.2858
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	69.5972
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	155.621
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	56.9856
Click to view 3D structure	Amyloid-beta precursor protein	P05067	Humans	Predicted (SEA)	67.2617
Click to view 3D structure	Broad substrate specificity ATP-binding cassette transporter ABCG2	Q9UNQ0	Humans	Predicted (SEA)	103.539
Click to view 3D structure	N1L	Q49PX0	Vaccinia virus	Predicted (SEA)	0.0778492
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	360.053
Click to view 3D structure	Bifunctional protein GlmU	C3SLB7	Escherichia coli	Predicted (SEA)	13.935
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	782.229
Click to view 3D structure	Mitochondrial import inner membrane translocase subunit TIM23	P32897	Saccharomyces cerevisiae S288c	Predicted (SEA)	22.0313
Click to view 3D structure	p-hydroxybenzoate hydroxylase	P00438	Pseudomonas fluorescens	Predicted (SEA)	19.618
Click to view 3D structure	Transcription factor EB	P19484	Humans	Predicted (SEA)	7.55137
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	97.4672
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	80.8075
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	65.0819
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	Q07422	Toxoplasma gondii	Predicted (SEA)	28.9599
Click to view 3D structure	Dihydrofolate reductase	O30463	Mycobacterium avium	Predicted (SEA)	11.6774
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	97.8565