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Alkaloids

N-Methylflindersine

N-甲基芸香碱

PHY-NP-09436 · Natural product research catalog

Catalog numberPHY-NP-09436
CAS number50333-13-6
Molecular formulaC15H15NO2
Molecular weight241.29 g/mol
Chemical classAlkaloids
Main reported sourceZanthoxylum simulans
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of N-Methylflindersine

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Product information

N-Methylflindersine is listed in the Alkaloids 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 name2,2,6-trimethylpyrano[3,2-c]quinolin-5-one
SMILESCC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C
InChIKeyRJZFGBNKPOVCHQ-UHFFFAOYSA-N
Subclass / scaffoldTryptophan alkaloids Anthranilic acid alkaloids:Quinoline alkaloids
PubChem CID72819

Computed properties

Exact mass (Da)241.1103Predicted LogP2.7227
Predicted TPSA (Ų)31.23H-bond donors0
H-bond acceptors3Rotatable bonds0

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

View additional properties & classification
Ring count3
Aromatic rings2
Fraction Csp³0.267
Synthetic accessibility score2.6
QED score0.71
Lipinski rule violations0
NPClassifier pathwayAlkaloids
NPClassifier superclassTryptophan alkaloids;Anthranilic acid alkaloids
NPClassifier classQuinoline alkaloids
Parent SMILESCn1c(=O)c2c(c3ccccc31)OC(C)(C)C=C2
Parent formulaC15H15NO2
Parent molecular weight241.29
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceZanthoxylum simulans
Reported source familiesRutaceae

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

View occurrence records & references
LOTUS / Wikidata speciesZanthoxylum simulans[3]; Euxylophora paraensis[2]; Orixa japonica[2]; Zanthoxylum integrifoliolum[2]; Adiscanthus fusciflorus[1]; Andreadoxa flava[1]; Conchocarpus guyanensis[1]; Dictamnus albus[1]; Dictamnus dasycarpus[1]; Hortia superba[1]; Melicope denhamii[1]; Melicope pteleifolia[1]; Micromelum falcatum[1]; Micromelum minutum[1]; Myrtopsis novae-caledoniae[1]
All reported source familiesRutaceae[24]
LOTUS species records24
LOTUS reference records24
COCONUT occurrence recordsAdiscanthus fusciflorus; Andreadoxa flava; Atalantia Roxburghiana; Atalantia roxburghiana; Conchocarpus guyanensis; Dictamnus albus; Dictamnus angustifolius; Dictamnus dasycarpus; Euxylophora paraensis; Fagara chalybea; Fagara chalybea and Fagara holtziana; Hortia superba; Lunasia amara; Melicope denhamii; Melicope ptelefolia; Melicope pteleifolia; Micromelum falcatum; Micromelum minutum; Myrtopsis novae-caledoniae; Orixa japonica; Phellodendron amurense; Phellodendron chinense; Phellodendron chinese; Ptelea trifolia; Ptelea trifoliata; Stephania tetrandra; Toddalia asiatica; Xylocarpus Granatum; Xylocarpus granatum; Zanthoxylum asiaticum
COCONUT organism records38
COCONUT identifierCNP0232994.0

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.