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Chemical structure of 5,7,2'-Trimethoxyflavone
Flavonoids

5,7,2'-Trimethoxyflavone

5,7,2'-三甲氧基黄酮

PHY-NP-17136 · Natural product research catalog

Catalog numberPHY-NP-17136
CAS number4308-57-0
Molecular formulaC18H16O5
Molecular weight312.321 g/mol
Chemical classFlavonoids
Purity / assayConfirmed in quotation and batch COA

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Product information

5,7,2'-Trimethoxyflavone 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 name5,7-dimethoxy-2-(2-methoxyphenyl)chromen-4-one
SMILESCOC1=CC=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC
InChIKeyIAVDTHSFRQVKKU-UHFFFAOYSA-N
Subclass / scaffoldFlavones
PubChem CID5322103

Computed properties & structure classification

Exact mass (Da)312.0998Predicted LogP3.4858
Predicted TPSA (Ų)57.9H-bond donors0
H-bond acceptors5Rotatable bonds4
Ring count3Aromatic rings3
Fraction Csp³0.167Synthetic accessibility score2.07
QED score0.738Lipinski rule violations0
NPClassifier pathwayShikimates and PhenylpropanoidsNPClassifier superclassFlavonoids
NPClassifier classFlavonesParent SMILESCOc1cc(OC)c2c(=O)cc(-c3ccccc3OC)oc2c1
Parent formulaC18H16O5Parent molecular weight312.321
Specified stereocenters0Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported sourceAndrographis stenophylla
LOTUS / Wikidata speciesAndrographis stenophylla[2];Andrographis viscosula[2]
Source familiesAcanthaceae[2]
LOTUS species records2
LOTUS reference records2
COCONUT occurrence recordsAndrographis stenophylla;Andrographis viscosula
COCONUT organism records2
COCONUT identifierCNP0184519.0

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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