4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one (CED0179318)

Record Information

Version

1.0

Creation Date

2026-08-22 10:30:27 UTC

Update Date

2026-08-22 10:30:27 UTC

Accession Number

CHEM213465

Identification

Common Name

4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one

Class

Small Molecule

Description

4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one belongs to the phenylnaphthalenes, a subclass of naphthalenes within the organic compounds. This benzenoid compound has the chemical formula C31H24O3 and an average molecular weight of 444.50 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₁H₂₄O₃

Average Molecular Mass

444.500 g/mol

Monoisotopic Mass

444.173 g/mol

CAS Registry Number

56073-07-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2

InChI Key

FVQITOLOYMWVFU-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	splash10-02e9-0291800000-23cb45468bf9e1b2a51a	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	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	splash10-0002-0000900000-996a947fd88ccdbb2a5c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0330900000-792539bff98b9ca728ec	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000t-4963500000-0a895bde720e12ff57b9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0002900000-44cea7aae72f07bb9efb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0302900000-825b49349524b40b2171	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-2491500000-9b0ca6d673f2238fd168	Not Available	View Spectrum

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
20.0	Log mg/kg	[10:36]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
597	Chemosterilants	Agriculture & land management	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	Vitamin K epoxide reductase complex subunit 1	Q6B4J2	Bos taurus	Predicted (SEA)	0.0778492
Click to view 3D structure	NAD(P)H dehydrogenase [quinone] 1	P05982	Rattus norvegicus	Predicted (SEA)	1.08989
Click to view 3D structure	Vitamin K epoxide reductase complex subunit 1	Q6TEK4	Rattus norvegicus	Predicted (SEA)	2.02408
Click to view 3D structure	Vitamin K epoxide reductase complex subunit 1	Q9BQB6	Humans	Predicted (SEA)	2.10193
Click to view 3D structure	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	50.7577
Click to view 3D structure	Poly [ADP-ribose] polymerase tankyrase-1	O95271	Humans	Predicted (SEA)	45.4639
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	292.713
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	388.312
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	264.765
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	324.865
Click to view 3D structure	Pyruvate kinase PKM	P14618	Humans	Predicted (SEA)	14.0907
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	148.225
Click to view 3D structure	Poly [ADP-ribose] polymerase tankyrase-2	Q9H2K2	Humans	Predicted (SEA)	68.4295
Click to view 3D structure	Adenosine receptor A2a	P30543	Rattus norvegicus	Predicted (SEA)	163.561
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	116.229
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	130.008
Click to view 3D structure	Poly [ADP-ribose] polymerase 1	P09874	Humans	Predicted (SEA)	205.288
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	1478.67
Click to view 3D structure	Cytochrome P450 1A1	P04798	Humans	Predicted (SEA)	101.282
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	2659.64
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	1937.36
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	1909.33
Click to view 3D structure	DNA-dependent protein kinase catalytic subunit	P78527	Humans	Predicted (SEA)	355.226
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	580.599
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	1710.97