Chalcones

Isoliquiritin

新异甘草苷

PHY-NP-06584 · Natural product research catalog

Catalog number	PHY-NP-06584
CAS number	7014-39-3
Molecular formula	C₂₁H₂₂O₉
Molecular weight	418.398 g/mol
Chemical class	Chalcones
Main reported source	Glycyrrhiza uralensis
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Isoliquiritin is listed in the Chalcones 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	(E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
SMILES	C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChIKey	YNWXJFQOCHMPCK-LXGDFETPSA-N
Subclass / scaffold	Chalcones
PubChem CID	5318591

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

View additional properties & classification

Ring count	3
Aromatic rings	2
Fraction Csp³	0.286
Synthetic accessibility score	3.65
QED score	0.284
Lipinski rule violations	1
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Flavonoids
NPClassifier class	Chalcones
Parent SMILES	O=C(/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(O)cc1O
Parent formula	C₂₁H₂₂O₉
Parent molecular weight	418.398
Specified stereocenters	5
Unspecified stereocenters	0

Main reported source	Glycyrrhiza uralensis
Reported source families	Fabaceae; Alliaceae; Orchid

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

View occurrence records & references

LOTUS / Wikidata species	Glycyrrhiza uralensis[10]; liquorice[8]; Glycyrrhiza inflata[5]; Allium chinense[1]; Dendrobium nobile[1]; Glycyrrhiza aspera[1]; Portulaca oleracea[1]
All reported source families	Fabaceae[4]; Alliaceae[1]; Orchid[1]; Portulacaceae[1]
LOTUS species records	7
LOTUS reference records	20
COCONUT occurrence records	Allium chinense; Aralia subcapitata; Cicer arietinum; Dalbergia sericea; Dendrobium nobile; Glycyrrhiza Uralensis; Glycyrrhiza aspera; Glycyrrhiza glabra; Glycyrrhiza inflata; Glycyrrhiza kansuensis; Glycyrrhiza sp.; Glycyrrhiza spp.; Glycyrrhiza uralensis; Glycyrrhiza yunnanensis; Herba sedi sarmentosi; Lentinus tigrinus; Mitracarpus scaber; Onobrychis viciifolia; Portulaca oleracea; Radix glycyrrhizae preparata; Robinia pseudoacacia; Siegesbeckia pubescens; Sigesbeckia glabrescens; Sophora tomentosa; Trifolium subterraneum; liquorice
COCONUT organism records	26
COCONUT identifier	CNP0367211.3

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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