Chemical substance record

Genistein

446-72-0C₁₅H₁₀O₅270.24 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A 7-hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	446-72-0	ChEBI ↗
Molecular formula	C₁₅H₁₀O₅	ChEBI ↗
Molar mass	270.24 g/mol	ChEBI ↗
Monoisotopic mass	270.05282 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:28088	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	270.24 g/mol	PubChem ↗
Exact mass	270.05282342 Da	PubChem ↗
Computed XLogP	2.7	PubChem ↗
Topological polar surface area (Å²)	87	PubChem ↗
H-bond donors	3	PubChem ↗
H-bond acceptors	5	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

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Source preferred name

genistein

IUPAC name

5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

InChIKey

TZBJGXHYKVUXJN-UHFFFAOYSA-N

SMILES

O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12

InChI

InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H

Names & synonyms

5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-onePrunetolSophoricol

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

anticoronaviral agentgeroprotectorantiviral agentantifibrotic agentcardiovascular drugantineoplastic agenttyrosine kinase inhibitorbone density conservation agentEC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitorplant metabolite

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

0.00370041 mol

Uses 270.24 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

66.67%

O

Oxygen · 5 atoms

29.60%

H

Hydrogen · 10 atoms

3.73%

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

Structure of the ligand-binding domain of oestrogen receptor beta in the presence of a partial agonist and a full antagonist. ↗The EMBO journal · 1999 Sep 1 · PMID 10469641

A flavonoid sulfate antigen activates human alphabeta CD8+ Th2 lymphocytes in pollen allergy. ↗European journal of immunology · 2000 Mar · PMID 10741415

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:28088

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

Additional molecular descriptorsNCBI PubChem · CID 5280961 · 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.

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