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Styrylpyrones

9-Deoxygoniopypyrone

PHY-NP-14873 · Natural product research catalog

Catalog numberPHY-NP-14873
CAS number136685-37-5
Molecular formulaC13H14O4
Molecular weight234.251 g/mol
Chemical classStyrylpyrones
Main reported sourceGoniothalamus amuyon
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 9-Deoxygoniopypyrone

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Product information

9-Deoxygoniopypyrone is listed in the Styrylpyrones section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name(1R,5R,7S,8S)-8-hydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
SMILESC1[C@@H]2CC(=O)O[C@H]1[C@@H]([C@@H](O2)C3=CC=CC=C3)O
InChIKeyZPVLUTBGTWEMGV-AAXDQBDMSA-N
Subclass / scaffoldKavalactones and derivatives
PubChem CID126233

Computed properties

Exact mass (Da)234.0892Predicted LogP1.193
Predicted TPSA (Ų)55.76H-bond donors1
H-bond acceptors4Rotatable bonds1

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count3
Aromatic rings1
Fraction Csp³0.462
Synthetic accessibility score4.38
QED score0.742
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassStyrylpyrones
NPClassifier classKavalactones and derivatives
Parent SMILESO=C1C[C@H]2C[C@@H](O1)[C@H](O)[C@H](c1ccccc1)O2
Parent formulaC13H14O4
Parent molecular weight234.251
Specified stereocenters4
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceGoniothalamus amuyon
Reported source familiesAnnonaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS / Wikidata speciesGoniothalamus amuyon[1]; Goniothalamus giganteus[1]; Goniothalamus laoticus[1]; Goniothalamus tamirensis[1]; Goniothalamus wightii[1]
All reported source familiesAnnonaceae[5]
LOTUS species records5
LOTUS reference records5
COCONUT occurrence recordsAnagallis monelli; Eliokarmos thyrsoides; Goniothalamus amuyon; Goniothalamus giganteus; Goniothalamus laoticus; Goniothalamus tamirensis; Goniothalamus wightii; Gymnacranthera paniculata
COCONUT organism records8
COCONUT identifierCNP0131206.2

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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