Flavonoids

Cirsimarin

滨蓟黄苷

PHY-NP-17295 · Natural product research catalog

Catalog number	PHY-NP-17295
CAS number	13020-19-4
Molecular formula	C₂₃H₂₄O₁₁
Molecular weight	476.434 g/mol
Chemical class	Flavonoids
Main reported source	Microtea debilis
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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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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Cirsimarin is listed in the Flavonoids 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-hydroxy-6,7-dimethoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
SMILES	COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC
InChIKey	RETJLKUBHXTIGH-FZFRBNDOSA-N
Subclass / scaffold	Flavones
PubChem CID	159460

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

View additional properties & classification

Ring count	4
Aromatic rings	3
Fraction Csp³	0.348
Synthetic accessibility score	3.82
QED score	0.333
Lipinski rule violations	1
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Flavonoids
NPClassifier class	Flavones
Parent SMILES	COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC
Parent formula	C₂₃H₂₄O₁₁
Parent molecular weight	476.434
Specified stereocenters	5
Unspecified stereocenters	0

Main reported source	Microtea debilis
Reported source families	Asteraceae; Microteaceae; Plantaginaceae

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

View occurrence records & references

LOTUS / Wikidata species	Microtea debilis[2]; Cirsium japonicum[1]; Cirsium maritimum[1]; Cirsium rhinoceros[1]; Scoparia dulcis[1]
All reported source families	Asteraceae[3]; Microteaceae[1]; Plantaginaceae[1]
LOTUS species records	5
LOTUS reference records	6
COCONUT occurrence records	Abrus precatorius; Cirsium japonicum; Cirsium maritimum; Cirsium rhinoceros; Cirsium sp.; Citrus sp.; Microtea debilis; Microtea sp.; Polygonum sp.; Rosmarinus sp.; Scoparia dulcis; microtea debilis
COCONUT organism records	12
COCONUT identifier	CNP0253641.1

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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