Xanthyletin
美洲花椒素
PHY-NP-16656 · Natural product research catalog
| Catalog number | PHY-NP-16656 |
|---|---|
| CAS number | 553-19-5 |
| Molecular formula | C14H12O3 |
| Molecular weight | 228.247 g/mol |
| Chemical class | Coumarins |
| Purity / assay | Confirmed in quotation and batch COA |
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| Pack | Price (USD) | Availability | Lead time |
|---|---|---|---|
| 5 mg | Request quote | To be confirmed | Confirm in quotation |
| 10 mg | Request quote | To be confirmed | Confirm in quotation |
| 20 mg | Request quote | To be confirmed | Confirm in quotation |
| 50 mg | Request quote | To be confirmed | Confirm in quotation |
| 100 mg | Request quote | To be confirmed | Confirm in quotation |
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Product information
Xanthyletin is listed in the Coumarins 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 | 2,2-dimethylpyrano[3,2-g]chromen-8-one |
|---|---|
| SMILES | CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C |
| InChIKey | QOTBQNVNUBKJMS-UHFFFAOYSA-N |
| Subclass / scaffold | Pyranocoumarins Simple coumarins |
| PubChem CID | 65188 |
Computed properties & structure classification
| Exact mass (Da) | 228.0786 | Predicted LogP | 2.9772 |
|---|---|---|---|
| Predicted TPSA (Ų) | 39.44 | H-bond donors | 0 |
| H-bond acceptors | 3 | Rotatable bonds | 0 |
| Ring count | 3 | Aromatic rings | 2 |
| Fraction Csp³ | 0.214 | Synthetic accessibility score | 2.74 |
| QED score | 0.651 | Lipinski rule violations | 0 |
| NPClassifier pathway | Shikimates and Phenylpropanoids | NPClassifier superclass | Coumarins |
| NPClassifier class | Pyranocoumarins；Simple coumarins | Parent SMILES | CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1 |
| Parent formula | C14H12O3 | Parent molecular weight | 228.247 |
| Specified stereocenters | 0 | Unspecified stereocenters | 0 |
Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.
Reported natural occurrence
| Main reported source | Citrus grandis |
|---|---|
| LOTUS / Wikidata species | Citrus grandis(柚)[6]；pomelo(柚子)[6]；Zanthoxylum ailanthoides(食茱萸)[5]；Citrus reticulata(橘)[4]；Citrus × deliciosa(地中海红橘)[4]；Clausena excavata(假黄皮)[4]；Pleiospermium alatum[4]；Brosimum rubescens[3]；Citrus × paradisi(葡萄柚)[3]；Poncirus trifoliata(枳)[3]；Ruta graveolens(芸香)[3]；citron(枸橼)[3]；Atalantia racemosa[2]；Brosimum gaudichaudii(马马卡迭拉)[2]；Citrus depressa(台湾香檬)[2]；… |
| Source families | Rutaceae[33]；Moraceae[7]；Lecythidaceae[1]；Apiaceae[1]；Acanthogorgiidae[1]；Plumbaginaceae[1] |
| Genus / family records | Echinogorgia[1]；cumquat(金橘)[1] |
| LOTUS species records | 43 |
| LOTUS reference records | 66 |
| COCONUT occurrence records | Acanthophyllum sordidum；Aceriphyllum rossii；Aconitum habaense；Aconitum tanguticum；Agnorhiza bolanderi；Alligator mississippiensis；Anagallis arvensis；Anaxagorea clavata；Angelica gigas；Aphelandra chamissoniana；Araujia sericifera；Aria pallescens；Arnica nevadensis；Artemisia monogyna；Atalantia racemosa；Bassia butyracea；Bauhinia racemosa；Beyeria brevifolia；Boenninghausenia Albiflora；Boenninghausenia albiflora；Boronia lanceolata；Bougainvillea glabra；Brosimum brevipedunculatum；Brosimum gaudichaudii；Brosimum guianense；Brosimum lanciferum；Brosimum lecointei；Brosimum paraense；Brosimum parinarioides；Brosimum potabile；… |
| COCONUT organism records | 173 |
| COCONUT identifier | CNP0195687.0 |
| Source reference DOI(s) | 10.1021/NP030509I.S001 |
Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.
Structure resources
Structure files describe the catalog record. They are not COA, SDS or evidence of batch quality.
Documents & specifications
| Certificate of analysis (COA) | Batch-specific document pending; not available in this preview |
|---|---|
| Safety data sheet (SDS) | Not yet published |
| Storage / solubility | Product-specific conditions to be confirmed |
| Shipping | Confirmed with the quotation |
Request applicable documentation and handling information before ordering or use.