Chemical substance record

Pinocembrin

480-39-7C₁₅H₁₂O₄256.257 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	480-39-7	ChEBI ↗
Molecular formula	C₁₅H₁₂O₄	ChEBI ↗
Molar mass	256.257 g/mol	ChEBI ↗
Monoisotopic mass	256.07356 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:28157	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	256.25 g/mol	PubChem ↗
Exact mass	256.07355886 Da	PubChem ↗
Computed XLogP	2.7	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

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Source preferred name

pinocembrin

IUPAC name

(2S)-5,7-dihydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one

InChIKey

URFCJEUYXNAHFI-ZDUSSCGKSA-N

SMILES

O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21

InChI

InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1

Names & synonyms

(2S)-5,7-dihydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one

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

Classification & relationships

ChEBI ontology

(2S)-flavan-4-oneChEBI parent class · 140377 ↗dihydroxyflavanoneChEBI parent class · 38749 ↗

ketone organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

antioxidantmetaboliteantineoplastic agentvasodilator agentneuroprotective agent

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

0.00390233 mol

Uses 256.257 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

70.31%

O

Oxygen · 4 atoms

24.97%

H

Hydrogen · 12 atoms

4.72%

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

Bioassay-guided isolation of constituents of Piper sarmentosum using a mitochondrial transmembrane potential assay. ↗Journal of natural products · 2011 Oct 28 · PMID 21973101

Alkylated flavanones from the bark of Cryptocarya chartacea as dengue virus NS5 polymerase inhibitors. ↗Journal of natural products · 2011 Nov 28 · PMID 22050318

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:28157

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

Additional molecular descriptorsNCBI PubChem · CID 68071 · 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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