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Chemical substance record

Flavasperone

3566-99-2C16H14O5286.283 g/mol
Organic/Inorganic Small MoleculeChEBI source record

A naphtho-γ-pyrone that is 4H-naphtho[1,2-b]pyran-4-one carrying a methyl substituent at position2, a hydroxy substituent at position 5 and two methoxy substotuents at positions 8 and 10. Originally isolated from Aspergillus niger. — ChEBI

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Identity & molecular properties

Source-linked values
CAS number3566-99-2ChEBI ↗
Molecular formulaC16H14O5ChEBI ↗
Molar mass286.283 g/molChEBI ↗
Monoisotopic mass286.08412 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:133814ChEBI ↗

Cross-source molecular data

PubChem
Molar mass286.28 g/molPubChem ↗
Exact mass286.08412354 DaPubChem ↗
Computed XLogP3.3PubChem ↗
Topological polar surface area (Ų)65PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors5PubChem ↗
Rotatable bonds2PubChem ↗

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
flavasperone
5-hydroxy-8,10-dimethoxy-2-methyl-4H-naphtho[1,2-b]pyran-4-one
ARXPDHLVDOYIPX-UHFFFAOYSA-N
COc1cc(OC)c2c(c1)cc(O)c1c(=O)cc(C)oc12
InChI=1S/C16H14O5/c1-8-4-11(17)15-12(18)6-9-5-10(19-2)7-13(20-3)14(9)16(15)21-8/h4-7,18H,1-3H3

Names & synonyms

5-hydroxy-8,10-dimethoxy-2-methyl-4H-naphtho[1,2-b]pyran-4-one

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

Classification & relationships

ChEBI ontology
phenolsChEBI parent class · 33853 ↗aromatic etherChEBI parent class · 35618 ↗naphtho-gamma-pyroneChEBI parent class · 64542 ↗
etherketonephenolsorganic heterocyclic compoundorganic molecular entity

Roles recorded in ChEBI

antiviral agentacyl-CoA:cholesterol acyltransferase 2 inhibitormarine metaboliteAspergillus 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
0.00349305 mol

Uses 286.283 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
67.13%
O
Oxygen · 5 atoms
27.94%
H
Hydrogen · 14 atoms
4.93%

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
Isolation, Structure elucidation, and antimycobacterial properties of dimeric naphtho-gamma-pyrones from the marine-derived fungus Aspergillus carbonarius. ↗Chemistry & biodiversity · 2008 Jan · PMID 18205129
New asperxanthone and asperbiphenyl from the marine fungus Aspergillus sp. ↗Pest management science · 2009 Jan · PMID 18823067
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:133814

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

NCBI PubChem · CID 5748546 · 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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