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Alkaloids

Lotusine

莲心季铵碱

PHY-NP-10237 · Natural product research catalog

Catalog numberPHY-NP-10237
CAS number6871-67-6
Molecular formulaC19H24NO3+
Molecular weight314.405 g/mol
Chemical classAlkaloids
Main reported sourceMagnolia officinalis
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Lotusine

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Product information

Lotusine 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 name(1R)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-ol
SMILESC[N+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC)O)C
InChIKeyZKTMLINFIQCERN-QGZVFWFLSA-O
Subclass / scaffoldTyrosine alkaloids:Isoquinoline alkaloids
PubChem CID5274587

Computed properties

Exact mass (Da)314.1751Predicted LogP3.0227
Predicted TPSA (Ų)49.69H-bond donors2
H-bond acceptors3Rotatable bonds3

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

View additional properties & classification
Ring count3
Aromatic rings2
Fraction Csp³0.368
Synthetic accessibility score3.16
QED score0.856
Lipinski rule violations0
NPClassifier pathwayAlkaloids
NPClassifier superclassTyrosine alkaloids
NPClassifier classIsoquinoline alkaloids
Parent SMILESCOc1cc2c(cc1O)CC[N+](C)(C)[C@@H]2Cc1ccc(O)cc1
Parent formulaC19H24NO3+
Parent molecular weight314.405
Specified stereocenters1
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceMagnolia officinalis
Reported source familiesMagnoliaceae; Nelumbonaceae; Annonaceae

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

View occurrence records & references
LOTUS / Wikidata speciesMagnolia officinalis[2]; Nelumbo nucifera[2]; Xylopia holtzii[1]
All reported source familiesMagnoliaceae[1]; Nelumbonaceae[1]; Annonaceae[1]
LOTUS species records3
LOTUS reference records5
COCONUT occurrence recordsLinum usitatissimum; Magnolia obovata; Magnolia officinalis; Nelumbo Nucifera; Nelumbo nucifera; Nelumbo nucifera Gaertn.; Phellodendron amurense; Phellodendron chinense; Phellodendron chinese; Plumula nelumbensis; Rhodiola kirilowii; Tiliacora racemosa colebr.; Trifolium repens; Xylopia holtzii; Xylopia parviflora
COCONUT organism records15
COCONUT identifierCNP0107926.1

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

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