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Flavonoids

Parthenosin

槲皮素-3-O-β-D-葡萄糖醛酸苷丁酯

PHY-NP-17927 · Natural product research catalog

Catalog numberPHY-NP-17927
CAS number166196-16-3
Molecular formulaC25H26O13
Molecular weight534.47 g/mol
Chemical classFlavonoids
Main reported sourceParthenocissus tricuspidata
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Parthenosin

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Product information

Parthenosin 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 namebutyl (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
SMILESCCCCOC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
InChIKeyINCAPNMMVMDQPT-PNRYVWDLSA-N
Subclass / scaffoldFlavonols
PubChem CID102155866

Computed properties

Exact mass (Da)534.1373Predicted LogP0.8121
Predicted TPSA (Ų)216.58H-bond donors7
H-bond acceptors13Rotatable bonds7

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

View additional properties & classification
Ring count4
Aromatic rings3
Fraction Csp³0.36
Synthetic accessibility score4.16
QED score0.127
Lipinski rule violations3
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classFlavonols
Parent SMILESCCCCOC(=O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Parent formulaC25H26O13
Parent molecular weight534.47
Specified stereocenters5
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceParthenocissus tricuspidata

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

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT occurrence recordsParthenocissus tricuspidata
COCONUT organism records1
COCONUT identifierCNP0269983.1

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

Request applicable documentation and handling information before ordering or use.