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Flavanones

Myrciacetin

多花香叶素

PHY-NP-01968 · Natural product research catalog

Catalog numberPHY-NP-01968
CAS number203734-35-4
Molecular formulaC17H16O6
Molecular weight316.309 g/mol
Chemical classFlavanones
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Myrciacetin

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100 mgRequest quoteTo be confirmedConfirm in quotation

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Product information

Myrciacetin 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 name(2S)-2-(2,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one
SMILESCC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=C(C=CC(=C3)O)O)C)O
InChIKeyDLAILIPOGIKSMK-ZDUSSCGKSA-N
Subclass / scaffoldFlavanones
PubChem CID6918746

Computed properties

Exact mass (Da)316.0947Predicted LogP2.8323
Predicted TPSA (Ų)107.22H-bond donors4
H-bond acceptors6Rotatable bonds1

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

View additional properties & classification
Ring count3
Aromatic rings2
Fraction Csp³0.235
Synthetic accessibility score3.24
QED score0.603
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classFlavanones
Parent SMILESCc1c(O)c(C)c2c(c1O)C(=O)C[C@@H](c1cc(O)ccc1O)O2
Parent formulaC17H16O6
Parent molecular weight316.309
Specified stereocenters1
Unspecified stereocenters0

Reported natural occurrence

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

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT organism records0

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

Request applicable documentation and handling information before ordering or use.