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Flavanones

5,7-Dihydroxy-2-(4-Hydroxyphenyl)-6,8-Dimethyl-2,3-Dihydrochromen-4-One

PHY-NP-01826 · Natural product research catalog

Catalog numberPHY-NP-01826
CAS number95403-16-0
Molecular formulaC17H16O5
Molecular weight300.31 g/mol
Chemical classFlavanones
Main reported sourceCheniella tenuiflora
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-6,8-Dimethyl-2,3-Dihydrochromen-4-One

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Product information

5,7-Dihydroxy-2-(4-Hydroxyphenyl)-6,8-Dimethyl-2,3-Dihydrochromen-4-One is listed in the Flavanones 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 name5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
SMILESCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)C)O
InChIKeyDYHOLQACRGJEHX-UHFFFAOYSA-N
Subclass / scaffoldFlavanones
PubChem CID91144

Computed properties

Exact mass (Da)300.0998Predicted LogP3.1267
Predicted TPSA (Ų)86.99H-bond donors3
H-bond acceptors5Rotatable bonds1

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

View additional properties & classification
Ring count3
Aromatic rings2
Fraction Csp³0.235
Synthetic accessibility score3.03
QED score0.753
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classFlavanones
Parent SMILESCc1c(O)c(C)c2c(c1O)C(=O)CC(c1ccc(O)cc1)O2
Parent formulaC17H16O5
Parent molecular weight300.31
Specified stereocenters0
Unspecified stereocenters1

Reported natural occurrence

Main reported sourceCheniella tenuiflora
Reported source familiesEricaceae; Fabaceae; Thymelaeaceae

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

View occurrence records & references
LOTUS / Wikidata speciesCheniella tenuiflora[1]; Daphne aurantiaca[1]; Rhododendron dauricum[1]; Rhododendron farrerae[1]
All reported source familiesEricaceae[2]; Fabaceae[1]; Thymelaeaceae[1]
LOTUS species records4
LOTUS reference records4
COCONUT occurrence recordsAngophora costata; Angophora lanceolata; Asparagus officinalis; Astragalus dissectus; Bauhinia glauca; Cheniella glauca; Cheniella tenuiflora; Chrysopa septempunctata; Cryphonectria parasitica; Daphne aurantiaca; Dodonaea humilis; Drupa concatenata; Eucalyptus mitchelliana; Gadus morrhua; Gardenia sootepensis; Goyazianthus tetrastichus; Hesperocyparis sargentii; Higginsia tethyoides; Hildegardia barteri; Ircinia ramosa; Justicia adhatoda; Lemnalia africana; Navanax inermis; Ocotea minarum; Pancratium maritimum; Persicaria glabra; Rhododendron dauricum; Rhododendron farrerae; Rhododendron ferrugineum; Rhododendron spinuliferum
COCONUT organism records34
COCONUT identifierCNP0180317.1

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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