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Chemical substance record

Butein

487-52-5C15H12O5272.256 g/mol
Organic/Inorganic Small MoleculeChEBI source record

A chalcone that is (E)-chalcone bearing four additional hydroxy substituents at positions 2', 3, 4 and 4'. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values
CAS number487-52-5ChEBI ↗
Molecular formulaC15H12O5ChEBI ↗
Molar mass272.256 g/molChEBI ↗
Monoisotopic mass272.06847 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:3237ChEBI ↗

Cross-source molecular data

PubChem
Molar mass272.25 g/molPubChem ↗
Exact mass272.06847348 DaPubChem ↗
Computed XLogP2.8PubChem ↗
Topological polar surface area (Ų)98PubChem ↗
H-bond donors4PubChem ↗
H-bond acceptors5PubChem ↗
Rotatable bonds3PubChem ↗

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
butein
(2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
AYMYWHCQALZEGT-ORCRQEGFSA-N
O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O
InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+

Names & synonyms

(2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one

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

Classification & relationships

ChEBI ontology
chalconesChEBI parent class · 23086 ↗polyphenolChEBI parent class · 26195 ↗
ketonephenolsorganic molecular entity

Roles recorded in ChEBI

radiosensitizing agentgeroprotectorantioxidanthypoglycemic agentantineoplastic agenttyrosine kinase inhibitorEC 1.1.1.21 (aldehyde reductase) 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
Equivalent amount
0.00367301 mol

Uses 272.256 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
66.17%
O
Oxygen · 5 atoms
29.38%
H
Hydrogen · 12 atoms
4.44%

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
Small molecule activators of sirtuins extend Saccharomyces cerevisiae lifespan. ↗Nature · 2003 Sep 11 · PMID 12939617
Butein induces G(2)/M phase arrest and apoptosis in human hepatoma cancer cells through ROS generation. ↗Cancer letters · 2010 Feb 28 · PMID 19643530
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:3237

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

NCBI PubChem · CID 5281222 · 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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