Chemical substance record

Pterostilbene

537-42-8C₁₆H₁₆O₃256.301 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A stilbenol that consists of trans-stilbene bearing a hydroxy group at position 4 as well as two methoxy substituents at positions 3' and 5'. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	537-42-8	ChEBI ↗
Molecular formula	C₁₆H₁₆O₃	ChEBI ↗
Molar mass	256.301 g/mol	ChEBI ↗
Monoisotopic mass	256.10994 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:8630	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	256.30 g/mol	PubChem ↗
Exact mass	256.109944368 Da	PubChem ↗
Computed XLogP	3.8	PubChem ↗
Topological polar surface area (Å²)	38.7	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	3	PubChem ↗
Rotatable bonds	4	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

pterostilbene

IUPAC name

4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol

InChIKey

VLEUZFDZJKSGMX-ONEGZZNKSA-N

SMILES

COc1cc(/C=C/c2ccc(O)cc2)cc(OC)c1

InChI

InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+

Names & synonyms

4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol

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

Classification & relationships

ChEBI ontology

stilbenolChEBI parent class · 36027 ↗dietherChEBI parent class · 46786 ↗methoxybenzenesChEBI parent class · 51683 ↗

ether phenols organic molecular entity

Roles recorded in ChEBI

antioxidantrenoprotective agentneurotransmitterhypoglycemic agentantineoplastic agentradical scavengerneuroprotective agentanti-inflammatory agentapoptosis inducerplant 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

0.00390166 mol

Uses 256.301 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 · 16 atoms

74.98%

O

Oxygen · 3 atoms

18.73%

H

Hydrogen · 16 atoms

6.29%

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

Stilbene content of mature Vitis vinifera berries in response to UV-C elicitation. ↗Journal of agricultural and food chemistry · 2000 Dec · PMID 11312782

Resveratrol, pterostilbene, and piceatannol in vaccinium berries. ↗Journal of agricultural and food chemistry · 2004 Jul 28 · PMID 15264904

CN101912377 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

EP2445488 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

KR20120000824 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:8630

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

Additional molecular descriptorsNCBI PubChem · CID 5281727 · 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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