Isoflavones

Irigenin

野鸢尾黄素

PHY-NP-05574 · Natural product research catalog

Catalog number	PHY-NP-05574
CAS number	548-76-5
Molecular formula	C₁₈H₁₆O₈
Molecular weight	360.318 g/mol
Chemical class	Isoflavones
Main reported source	Iris domestica
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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Irigenin is listed in the Isoflavones 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-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
SMILES	COC1=CC(=CC(=C1OC)O)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
InChIKey	TUGWPJJTQNLKCL-UHFFFAOYSA-N
Subclass / scaffold	Isoflavones
PubChem CID	5464170

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

View additional properties & classification

Ring count	3
Aromatic rings	3
Fraction Csp³	0.167
Synthetic accessibility score	2.67
QED score	0.65
Lipinski rule violations	0
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Isoflavonoids
NPClassifier class	Isoflavones
Parent SMILES	COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OC
Parent formula	C₁₈H₁₆O₈
Parent molecular weight	360.318
Specified stereocenters	0
Unspecified stereocenters	0

Main reported source	Iris domestica
Reported source families	Iridaceae; Fabaceae; Eriocaulaceae

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

View occurrence records & references

LOTUS / Wikidata species	Iris domestica[8]; Iris kemaonensis[2]; Iris pseudacorus[2]; Iris tingitana[2]; Iris x germanica[2]; Eriocaulon buergerianum[1]; Erythrina sigmoidea[1]; Erythrina vogelii[1]; Garcinia nervosa[1]; Iris cengialti[1]; Iris decora[1]; Iris foetidissima[1]; Iris hookeriana[1]; Iris milesii[1]; Iris pseudopumila[1]
All reported source families	Iridaceae[16]; Fabaceae[2]; Eriocaulaceae[1]; Clusiaceae[1]
Genus / family records	Iris[2]
LOTUS species records	19
LOTUS reference records	27
COCONUT occurrence records	Aspidosperma megalocarpon; Belamcanda Chinensis; Belamcanda chinensis; Belamcanda sp.; Eriocaulon australe; Eriocaulon buergerianum; Eriocaulon sieboldianum; Erythrina sigmoidea; Erythrina vogelii; Garcinia nervosa; Iris; Iris cengialti; Iris decora; Iris dichotoma; Iris domestica; Iris foetidissima; Iris foetidissima L.; Iris germanica; Iris germanica L.; Iris hookeriana; Iris kemaonensis; Iris kumaonensis; Iris milesii; Iris pseudacorus; Iris pseudacorus L.; Iris pseudopumila; Iris sibirica; Iris sibirica L.; Iris sofarana; Iris sp.
COCONUT organism records	40
COCONUT identifier	CNP0111526.0

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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