Coumarins

5,7-Dimethoxycoumarin

5,7-二甲氧基香豆素

PHY-NP-16711 · Natural product research catalog

Catalog number	PHY-NP-16711
CAS number	487-06-9
Molecular formula	C₁₁H₁₀O₄
Molecular weight	206.197 g/mol
Chemical class	Coumarins
Main reported source	citron
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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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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5,7-Dimethoxycoumarin 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.

IUPAC name	5,7-dimethoxychromen-2-one
SMILES	COC1=CC2=C(C=CC(=O)O2)C(=C1)OC
InChIKey	NXJCRELRQHZBQA-UHFFFAOYSA-N
Subclass / scaffold	Simple coumarins
PubChem CID	2775

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

View additional properties & classification

Ring count	2
Aromatic rings	2
Fraction Csp³	0.182
Synthetic accessibility score	1.94
QED score	0.703
Lipinski rule violations	0
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Coumarins
NPClassifier class	Simple coumarins
Parent SMILES	COc1cc(OC)c2ccc(=O)oc2c1
Parent formula	C₁₁H₁₀O₄
Parent molecular weight	206.197
Specified stereocenters	0
Unspecified stereocenters	0

Main reported source	citron
Reported source families	Rutaceae; Apiaceae; Thymelaeaceae

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

View occurrence records & references

LOTUS / Wikidata species	citron[4]; Zanthoxylum asiaticum[3]; Bupleurum salicifolium[2]; Toddalia asiatica[2]; Boenninghausenia albiflora[1]; Citrus limetta[1]; Dinosperma melanophloium[1]; Edgeworthia chrysantha[1]; Heracleum mantegazzianum[1]; Melicope borbonica[1]; Metrodorea nigra[1]; Poncirus trifoliata[1]
All reported source families	Rutaceae[9]; Apiaceae[2]; Thymelaeaceae[1]
LOTUS species records	12
LOTUS reference records	16
COCONUT occurrence records	Adenia fruticosa; Aeromonas hydrophila; Artemisia caucasica; Aster ptarmicoides; Bidens andicola; Boenninghausenia albiflora; Bunium paucifolium; Bupleurum salicifolium; Centrosema haitense; Citrus limetta; Citrus limon; Citrus medica; Citrus medica var. sarcodactylis; Citrus sp.; Citrus wilsonii; Corydalis gigantea; Crella incrustans; Dinosperma melanophloium; Dysosma delavayi; Echinochloa esculenta; Echinopepon bigelovii; Edgeworthia chrysantha; Eriostemon obovalis; Euphorbia hirta; Exobasidium vaccinii; Galium album; Gomphostemma crinitum; Halosaccion ramentaceum; Heracleum mantegazzianum; Hopea brevipetiolaris
COCONUT organism records	58
COCONUT identifier	CNP0292843.0

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

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

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