(3s,4s)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one (CED0066788)

Record Information

Version

1.0

Creation Date

2026-08-29 08:18:11 UTC

Update Date

2026-08-29 08:18:11 UTC

Accession Number

CHEM307880

Identification

Common Name

(3s,4s)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one

Class

Small Molecule

Description

(3s,4s)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one is a chemical compound with the formula C18H18O4 and an average molecular weight of 298.30 g/mol. This substance has been found in or released from one recorded source: Electrical & Electronic Equipment (Antennas).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₁₈O₄

Average Molecular Mass

Not Available

Monoisotopic Mass

298.121 g/mol

CAS Registry Number

78473-71-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O

InChI Identifier

InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m1/s1

InChI Key

HVDGDHBAMCBBLR-PBHICJAKSA-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	splash10-0a4i-2930000000-f09c9cac23beb829be13	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000t-0190000000-d33c0fafd73d31bd1204	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001j-0980000000-2d1b0924938a24f1eb05	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a59-0900000000-d092c0cfddc526e6ebba	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-2920000000-18d6a269cd7da1f4ef15	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a6r-2920000000-4f8142e2478ebf1a5b9d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a59-0910000000-bb995b1188dbee333149	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0970000000-8edbf7d5ec7cbb5b2a3b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000t-0090000000-639a43db19d283c92d2b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001j-0980000000-712c47c7973eea7aa7fe	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a59-0900000000-9b12c38f324adb5eeb41	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a6r-2910000000-08b0bae58794f445d83b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000t-0090000000-26475d4cba4d01de2031	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a59-0900000000-6f5cc98bcc9de89f5999	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a59-0910000000-b6e9f8b5b9f5ba8ef008	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a59-0900000000-91f736afb6d72e71cc98	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001j-0980000000-aea91a6243afbd88af26	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000t-0090000000-42cc05f41cd630cc6078	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001j-0980000000-1082df507fa005706623	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0190000000-642d4c8d3404bc3f1f38	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a5a-0490000000-0fc8cabcfd095169a527	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014l-4930000000-03f5b31277825fdc664c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-c0857d2d2f364ae91560	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f6t-0190000000-f43dcd7ff2ab06e61ff1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014r-1950000000-316abee781de19a5a2ba	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-184e83ae8436a463dfb8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00kk-0690000000-d923261d0c3c18fb8b91	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00kf-9410000000-de4978c6fb8ec124fa85	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-f0c862a08271fcfa3c6f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4m-2590000000-1c55167a6b0259841e2d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-6970000000-7885cb5895dc9c55d94c	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, H₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, H₂O, predicted)	Not Available	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
2089.0	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
506	Antennas	Electrical & Electronic Equipment	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	Aromatase	P11511	Humans	Predicted (SEA)	40.248
Click to view 3D structure	Gag-Pol polyprotein	Q7ZJM1	Human immunodeficiency virus 1	Predicted (SEA)	30.3612
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	921.112
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	243.824
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	322.062
Click to view 3D structure	Leukotriene B4 receptor 1	O88855	Mus musculus	Predicted (SEA)	1.08989
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	728.824
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	916.83
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	811.734
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	781.139
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	659.383
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	227.398
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	526.728
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	772.186
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	579.665
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	186.215
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	753.736
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	514.895
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	921.423
Click to view 3D structure	Cytochrome P450	A0A0T9WNE5	Mycobacterium tuberculosis	Predicted (SEA)	6.46149
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	201.863
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	665.377
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	885.301
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	1030.18
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 1	P14061	Humans	Predicted (SEA)	45.7753