Flavonoids

Acacetin 7-O-glucuronide

金合欢素-7-O-葡萄糖醛酸苷

PHY-NP-17223 · Natural product research catalog

Catalog number	PHY-NP-17223
CAS number	38226-83-4
Molecular formula	C₂₂H₂₀O₁₁
Molecular weight	460.391 g/mol
Chemical class	Flavonoids
Main reported source	Collinsonia japonica
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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100 mg	Request quote	To be confirmed	Confirm in quotation

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Acacetin 7-O-glucuronide 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	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
SMILES	COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O
InChIKey	ZWVNKIJIVBIMSW-SXFAUFNYSA-N
Subclass / scaffold	Flavones
PubChem CID	15344014

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

View additional properties & classification

Ring count	4
Aromatic rings	3
Fraction Csp³	0.273
Synthetic accessibility score	3.8
QED score	0.357
Lipinski rule violations	0
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Flavonoids
NPClassifier class	Flavones
Parent SMILES	COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
Parent formula	C₂₂H₂₀O₁₁
Parent molecular weight	460.391
Specified stereocenters	5
Unspecified stereocenters	0

Main reported source	Collinsonia japonica
Reported source families	Lamiaceae; Asteraceae

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

View occurrence records & references

LOTUS / Wikidata species	Collinsonia japonica[1]; Lycopus asper[1]; Lycopus lucidus[1]; Meehania fargesii[1]; Onopordum illyricum[1]; Tripora divaricata[1]
All reported source families	Lamiaceae[5]; Asteraceae[1]
LOTUS species records	6
LOTUS reference records	5
COCONUT occurrence records	Carthamus tinctorius; Cirsium arvense; Collinsonia japonica; Lycopus asper; Lycopus lucidus; Meehania fargesii; Onopordum illyricum; Tripora divaricata
COCONUT organism records	8
COCONUT identifier	CNP0169033.2

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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