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Flavonoids

Baicalein

黄芩素

PHY-NP-17265 · Natural product research catalog

Catalog numberPHY-NP-17265
CAS number491-67-8
Molecular formulaC15H10O5
Molecular weight270.24 g/mol
Chemical classFlavonoids
Main reported sourceScutellaria baicalensis
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Baicalein

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Product information

Baicalein 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.

Names & identifiers

IUPAC name5,6,7-trihydroxy-2-phenylchromen-4-one
SMILESC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O
InChIKeyFXNFHKRTJBSTCS-UHFFFAOYSA-N
Subclass / scaffoldFlavones
PubChem CID5281605

Computed properties

Exact mass (Da)270.0528Predicted LogP2.5768
Predicted TPSA (Ų)90.9H-bond donors3
H-bond acceptors5Rotatable bonds1

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

View additional properties & classification
Ring count3
Aromatic rings3
Fraction Csp³0.0
Synthetic accessibility score2.25
QED score0.591
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classFlavones
Parent SMILESO=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12
Parent formulaC15H10O5
Parent molecular weight270.24
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceScutellaria baicalensis
Reported source familiesLamiaceae; Rhizobiaceae; Rosaceae

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

View occurrence records & references
LOTUS / Wikidata speciesScutellaria baicalensis[45]; Oroxylum indicum[3]; Scutellaria orientalis[3]; Arabidopsis thaliana[2]; Cephalocereus senilis[2]; Ginkgo biloba[2]; Scutellaria comosa[2]; Scutellaria galericulata[2]; Scutellaria grossa[2]; Scutellaria lateriflora[2]; Agrobacterium rhizogenes[1]; Aria edulis[1]; Chamaemespilus alpina[1]; Eucommia ulmoides[1]; Lepisorus ussuriensis[1]
All reported source familiesLamiaceae[20]; Rhizobiaceae[2]; Rosaceae[2]; Bignoniaceae[1]; Brassicaceae[1]; Cactaceae[1]
Genus / family recordsScutellaria[2]; Heterotheca[1]
LOTUS species records32
LOTUS reference records86
COCONUT occurrence recordsAgrobacterium rhizogenes; Allium fistulosum; Arabidopsis thaliana; Aria edulis; Austrocylindropuntia subulata; Caesalpinia decapetala; Cephalocereus senilis; Chamaemespilus alpina; Chromodoris hamiltoni; Crambe hispanica subsp. abyssinica; Cusparia macrocarpa; Eucommia ulmoides; Eunicea knighti; Ginkgo biloba; Helichrysum lindleyi; Heterotheca; Labiatae; Lepisorus ussuriensis; Malagasy connaraceous; Medicosma cunninghamii; Mutant strains of Streptomyces sp. U121 [genome shuffling of Streptomyces sp. U121]; Oroxylum Indicum; Oroxylum indicum; Parinari campestris; Plantago Major; Plantago major; Plantago sp.; Prunus persica; Pueraria montana var. lobata; Rheum coreanum
COCONUT organism records68
COCONUT identifierCNP0329318.0
Source reference DOI(s)10.1007/978-1-4614-0535-1_168;10.1021/JM049949C.S001

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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