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Flavonoids

Pongapin

水黄皮黄素

PHY-NP-17937 · Natural product research catalog

Catalog numberPHY-NP-17937
CAS number481-99-2
Molecular formulaC19H12O6
Molecular weight336.299 g/mol
Chemical classFlavonoids
Main reported sourcePongamia pinnata
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Pongapin

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Product information

Pongapin 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 name2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one
SMILESCOC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC5=C(C=C4)OCO5
InChIKeyIGFBIJDAWSAJIF-UHFFFAOYSA-N
Subclass / scaffoldFlavonols
PubChem CID3083586

Computed properties

Exact mass (Da)336.0634Predicted LogP3.9435
Predicted TPSA (Ų)71.04H-bond donors0
H-bond acceptors6Rotatable bonds2

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

View additional properties & classification
Ring count5
Aromatic rings4
Fraction Csp³0.105
Synthetic accessibility score2.54
QED score0.552
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classFlavonols
Parent SMILESCOc1c(-c2ccc3c(c2)OCO3)oc2c(ccc3occc32)c1=O
Parent formulaC19H12O6
Parent molecular weight336.299
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourcePongamia pinnata
Reported source familiesFabaceae

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

View occurrence records & references
LOTUS / Wikidata speciesPongamia pinnata[14]; Millettia pinnata[6]; Pongamia glabra[6]; Lonchocarpus heptaphyllus[1]; Pongamia pinnata var. pinnata[1]
All reported source familiesFabaceae[5]
LOTUS species records5
LOTUS reference records16
COCONUT occurrence recordsDerris indica; Derris mollis; Leguminosae; Lonchocarpus heptaphyllus; Lonchocarpus latifolius; Millettia peguensis; Millettia pinnata; Pongamia Pinnata; Pongamia glabra; Pongamia pinnata; Pongamia pinnata var. pinnata; Tephrosia purpurea
COCONUT organism records12
COCONUT identifierCNP0214252.0
Source reference DOI(s)10.1007/978-1-4757-2351-9_13

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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