Chemical substance record

Daidzein

486-66-8C₁₅H₁₀O₄254.241 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'. — ChEBI

Safety references

Safety documents & references

Supplier matching matters

Find the safety document for your specific supplier, product number and grade.

Find a product-specific SDS

Search SDS PDFs Sigma-Aldrich Thermo Fisher

Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.

Identity & molecular properties

Source-linked values

CAS number	486-66-8	ChEBI ↗
Molecular formula	C₁₅H₁₀O₄	ChEBI ↗
Molar mass	254.241 g/mol	ChEBI ↗
Monoisotopic mass	254.05791 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:28197	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	254.24 g/mol	PubChem ↗
Exact mass	254.05790880 Da	PubChem ↗
Computed XLogP	2.5	PubChem ↗
Topological polar surface area (Å²)	66.8	PubChem ↗
H-bond donors	2	PubChem ↗
H-bond acceptors	4	PubChem ↗
Rotatable bonds	1	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier

Source preferred name

daidzein

IUPAC name

7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

InChIKey

ZQSIJRDFPHDXIC-UHFFFAOYSA-N

SMILES

O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

InChI

InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H

Names & synonyms

7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

7-hydroxyisoflavonesChEBI parent class · 55465 ↗

ketone organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitorantineoplastic agentbone density conservation agentEC 3.2.1.20 (alpha-glucosidase) inhibitorplant metabolitephytoestrogen

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00393328 mol

Uses 254.241 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 15 atoms

70.86%

O

Oxygen · 4 atoms

25.17%

H

Hydrogen · 10 atoms

3.96%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Inhibition of alpha-glucosidase and amylase by luteolin, a flavonoid. ↗Bioscience, biotechnology, and biochemistry · 2000 Nov · PMID 11193416

Inhibition of alpha-glucosidase and alpha-amylase by flavonoids. ↗Journal of nutritional science and vitaminology · 2006 Apr · PMID 16802696

Search PubMed Google Scholar

Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:28197

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 5281708 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

How this record was assembled Suggest a correction