Chalcones

Isobavachalcone

补骨脂乙素

PHY-NP-06578 · Natural product research catalog

Catalog number	PHY-NP-06578
CAS number	20784-50-3
Molecular formula	C₂₀H₂₀O₄
Molecular weight	324.376 g/mol
Chemical class	Chalcones
Main reported source	Cullen corylifolia
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Isobavachalcone 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-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
SMILES	CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)C
InChIKey	DUWPGRAKHMEPCM-IZZDOVSWSA-N
Subclass / scaffold	Chalcones
PubChem CID	5281255

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

View additional properties & classification

Ring count	2
Aromatic rings	2
Fraction Csp³	0.15
Synthetic accessibility score	2.47
QED score	0.437
Lipinski rule violations	0
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Flavonoids
NPClassifier class	Chalcones
Parent SMILES	CC(C)=CCc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O
Parent formula	C₂₀H₂₀O₄
Parent molecular weight	324.376
Specified stereocenters	0
Unspecified stereocenters	0

Main reported source	Cullen corylifolia
Reported source families	Fabaceae; Moraceae; Apiaceae

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

View occurrence records & references

LOTUS / Wikidata species	Cullen corylifolia[7]; Cullen corylifolium[7]; Ashitaba[3]; Erythrina burttii[2]; Morus alba[2]; Anthyllis hermanniae[1]; Brosimum acutifolium[1]; Broussonetia papyrifera[1]; Dorstenia poinsettifolia[1]; Erythrina fusca[1]; Glycyrrhiza inflata[1]; Glycyrrhiza uralensis[1]; Hypericum geminiflorum[1]; Lespedeza cyrtobotrya[1]; Maclura tinctoria[1]
All reported source families	Fabaceae[10]; Moraceae[7]; Apiaceae[1]; Hypericaceae[1]
Genus / family records	Moraceae[1]; Polygonaceae[1]
LOTUS species records	19
LOTUS reference records	29
COCONUT occurrence records	Angelica keiskei; Angelica sp.; Anthyllis hermanniae; Artocarpus communis; Ashitaba; Brosimum acutifolium; Broussonetia Papyrifera; Broussonetia papyrifera; Cullen corylifolia; Cullen corylifolium; Dorstenia poinsettifolia; Erythrina burttii; Erythrina fusca; Erythrina sp.; Fructus psoraleae corylifoliae; Glycyrrhiza Uralensis; Glycyrrhiza glabra; Glycyrrhiza inflata; Glycyrrhiza sp.; Glycyrrhiza uralensis; Hypericum geminiflorum; Lentinus tigrinus; Lespedeza cyrtobotrya; Lonchocarpus neuroscapha; Maclura tinctoria; Mitracarpus scaber; Moraceae; Morus alba; Morus bombycis; Morus cathayana
COCONUT organism records	42
COCONUT identifier	CNP0238721.1

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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