Flavonoids

Apigenin 7-O-glucuronide

芹菜素-7-O-葡萄糖醛酸苷

PHY-NP-17249 · Natural product research catalog

Catalog number	PHY-NP-17249
CAS number	29741-09-1
Molecular formula	C₂₁H₁₈O₁₁
Molecular weight	446.364 g/mol
Chemical class	Flavonoids
Main reported source	Antirrhinum majus
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Apigenin 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-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
SMILES	C1=CC(=CC=C1C2=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)O
InChIKey	JBFOLLJCGUCDQP-ZFORQUDYSA-N
Subclass / scaffold	Flavones
PubChem CID	5319484

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

View additional properties & classification

Ring count	4
Aromatic rings	3
Fraction Csp³	0.238
Synthetic accessibility score	3.87
QED score	0.32
Lipinski rule violations	1
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Flavonoids
NPClassifier class	Flavones
Parent SMILES	O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O
Parent formula	C₂₁H₁₈O₁₁
Parent molecular weight	446.364
Specified stereocenters	5
Unspecified stereocenters	0

Main reported source	Antirrhinum majus
Reported source families	Lamiaceae; Asteraceae; Fabaceae

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

View occurrence records & references

LOTUS / Wikidata species	Antirrhinum majus[2]; Bellis perennis[2]; Chaenomeles sinensis[2]; Medicago sativa[2]; Tanacetum parthenium[2]; Acanthus ebracteatus[1]; Acanthus ilicifolius[1]; Agrimonia eupatoria[1]; Aster koraiensis[1]; Broussonetia papyrifera[1]; Centaurea aspera[1]; Centaurea bracteata[1]; Centaurea jacea[1]; Chamaemelum nobile[1]; Chrysanthemum morifolium[1]
All reported source families	Lamiaceae[31]; Asteraceae[17]; Fabaceae[5]; Acanthaceae[5]; Apiaceae[5]; Bignoniaceae[4]
Genus / family records	Strobilanthes[1]
LOTUS species records	80
LOTUS reference records	63
COCONUT occurrence records	Acacia acuminata; Acanthus Ebracteatus; Acanthus ebracteatus; Acanthus ilicifolius; Achillea serbica; Aglaia erythrosperma; Agrimonia eupatoria; Allium siculum; Alluaudia ascendens; Anabaena sphaerica; Anigozanthos pulcherrimus; Anigozanthos rufus; Anthemis pseudocotula; Antirrhinum majus; Arabis hirsuta; Aspergillus fumigatus; Aster koraiensis; Baccharis thesioides; Bacillus licheniformis "[BrnQ Lrp]"; Bellis perennis; Bonnetia dinizii; Broussonetia papyrifera; Cannabis sp.; Centaurea aspera; Centaurea bracteata; Centaurea collina; Centaurea jacea; Chaenomeles sinensis; Chamaemelum nobile; Chrysanthemum morifolium
COCONUT organism records	149
COCONUT identifier	CNP0397409.1

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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