Flavonoids

3,3'-di-O-methylquercetin

槲皮素-3,3'-二甲醚

PHY-NP-17570 · Natural product research catalog

Catalog number	PHY-NP-17570
CAS number	4382-17-6
Molecular formula	C₁₇H₁₄O₇
Molecular weight	330.292 g/mol
Chemical class	Flavonoids
Main reported source	Grindelia hirsutula
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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3,3'-di-O-methylquercetin 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.

IUPAC name	5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxychromen-4-one
SMILES	COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)O
InChIKey	FMEHGPQTMOPUGM-UHFFFAOYSA-N
Subclass / scaffold	Flavonols
PubChem CID	5316900

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

View additional properties & classification

Ring count	3
Aromatic rings	3
Fraction Csp³	0.118
Synthetic accessibility score	2.41
QED score	0.677
Lipinski rule violations	0
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Flavonoids
NPClassifier class	Flavonols
Parent SMILES	COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)ccc1O
Parent formula	C₁₇H₁₄O₇
Parent molecular weight	330.292
Specified stereocenters	0
Unspecified stereocenters	0

Main reported source	Grindelia hirsutula
Reported source families	Asteraceae; Fabaceae; Nothofagaceae

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

View occurrence records & references

LOTUS / Wikidata species	Grindelia hirsutula[3]; Ajania fruticulosa[2]; Centipeda minima[2]; Chiliadenus iphionoides[2]; Grindelia camporum[2]; Anarthria scabra[1]; Baccharis kingii[1]; Balsamorhiza hookeri[1]; Chiliadenus montanus[1]; Chrysothamnus humilis[1]; Chrysothamnus viscidiflorus[1]; Cleome amblyocarpa[1]; Cyperus alopecuroides[1]; Eremosis triflosculosa[1]; Ericameria nauseosa[1]
All reported source families	Asteraceae[20]; Fabaceae[4]; Nothofagaceae[3]; Lamiaceae[3]; Cleomaceae[2]; Rutaceae[2]
Genus / family records	Salvia[1]
LOTUS species records	43
LOTUS reference records	43
COCONUT occurrence records	Acacia neovernicosa; Acrocarpia paniculata; Agapanthus africanus; Ajania fruticulosa; Anarthria scabra; Anodendron affine; Apis mellifera; Artemisia brevifolia; Astragalus alopecurus; Austroplenckia populnea; Baccharis kingii; Balsamorhiza hookeri; Barosma crenulata; Bipolaris sorokiniana; Calceolaria spp.; Cedrela salvadorensis; Centipeda Minima; Centipeda minima; Chiliadenus iphionoides; Chiliadenus montanus; Chrysomela tremula; Chrysothamnus humilis; Chrysothamnus viscidiflorus; Clathria basilana; Cleome amblyocarpa; Cleome amplyocarpa; Cotoneaster microphylla; Cyperus alopecuroides; Cystoclonium purpureum; Delphinium brownii
COCONUT organism records	125
COCONUT identifier	CNP0304960.0

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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