Chemical substance record

Norathyriol

3542-72-1C₁₃H₈O₆260.201 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7. Isolated from Garcinia mangostana and Maclura pomifera, it exhibits inhibitory activity against protein kinase C. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	3542-72-1	ChEBI ↗
Molecular formula	C₁₃H₈O₆	ChEBI ↗
Molar mass	260.201 g/mol	ChEBI ↗
Monoisotopic mass	260.03209 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:7622	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	260.20 g/mol	PubChem ↗
Exact mass	260.03208797 Da	PubChem ↗
Computed XLogP	2.1	PubChem ↗
Topological polar surface area (Å²)	107	PubChem ↗
H-bond donors	4	PubChem ↗
H-bond acceptors	6	PubChem ↗
Rotatable bonds	0	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

norathyriol

IUPAC name

1,3,6,7-tetrahydroxy-9H-xanthen-9-one

InChIKey

ZHTQCPCDXKMMLU-UHFFFAOYSA-N

SMILES

O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12

InChI

InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H

Names & synonyms

1,3,6,7-tetrahydroxy-9H-xanthen-9-one

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

Classification & relationships

ChEBI ontology

polyphenolChEBI parent class · 26195 ↗xanthonesChEBI parent class · 51149 ↗

ketone phenols organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

antineoplastic agentEC 2.7.11.13 (protein kinase C) 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

0.00384318 mol

Uses 260.201 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 · 13 atoms

60.01%

O

Oxygen · 6 atoms

36.89%

H

Hydrogen · 8 atoms

3.10%

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

[Pharmaceutical studies on ferns. XVI. Components of Athyrium mesosorum Makino. (I)]. ↗Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan · 1962 Nov · PMID 13995190

New phenolic principles from Hypericum sampsonii. ↗Chemical & pharmaceutical bulletin · 2004 Jul · PMID 15256712

CN102657640 · 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:7622

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

Additional molecular descriptorsNCBI PubChem · CID 5281656 · 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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