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Alkaloids

Hypaphorine

刺桐碱

PHY-NP-09886 · Natural product research catalog

Catalog numberPHY-NP-09886
CAS number487-58-1
Molecular formulaC14H18N2O2
Molecular weight246.31 g/mol
Chemical classAlkaloids
Main reported sourceCaragana sinica
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Hypaphorine

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Product information

Hypaphorine 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(2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
SMILESC[N+](C)(C)[C@@H](CC1=CNC2=CC=CC=C21)C(=O)[O-]
InChIKeyAOHCBEAZXHZMOR-ZDUSSCGKSA-N
Subclass / scaffoldTryptophan alkaloids:Simple indole alkaloids
PubChem CID442106

Computed properties

Exact mass (Da)246.1368Predicted LogP0.5351
Predicted TPSA (Ų)55.92H-bond donors1
H-bond acceptors2Rotatable bonds4

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

View additional properties & classification
Ring count2
Aromatic rings2
Fraction Csp³0.357
Synthetic accessibility score3.38
QED score0.8
Lipinski rule violations0
NPClassifier pathwayAlkaloids
NPClassifier superclassTryptophan alkaloids
NPClassifier classSimple indole alkaloids
Parent SMILESC[N+](C)(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
Parent formulaC14H18N2O2
Parent molecular weight246.31
Specified stereocenters1
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceCaragana sinica
Reported source familiesFabaceae; Moraceae; Sclerodermataceae

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

View occurrence records & references
LOTUS / Wikidata speciesCaragana sinica[2]; Abrus precatorius[1]; Caragana brevifolia[1]; Caragana korshinskii[1]; Caragana leucophloea[1]; Caragana rosea[1]; Caragana stenophylla[1]; Erythrina mulungu[1]; Erythrina senegalensis[1]; Erythrina stricta[1]; Erythrina suberosa[1]; Erythrina subumbrans[1]; Glycyrrhiza yunnanensis[1]; Maquira coriacea[1]; Naucleopsis caloneura[1]
All reported source familiesFabaceae[13]; Moraceae[5]; Sclerodermataceae[2]
LOTUS species records20
LOTUS reference records11
COCONUT occurrence recordsAbrus Precatorius; Abrus precatorius; Aloe peglerae; Botrylloides tyreum; Callicarpa furfuracea; Caragana brevifolia; Caragana korshinskii; Caragana leucophloea; Caragana rosea; Caragana sinica; Caragana stenophylla; Desmodium Gangeticum; Desmodium gangeticum; Erythrina hypaphorus; Erythrina mulungu; Erythrina senegalensis; Erythrina stricta; Erythrina suberosa; Erythrina subumbrans; Erythrina sudumbrans; Fallopia multiflora; Glycyrrhiza yunnanensis; Hedysarum polybotrys; Human immunodeficiency; Maquira coriacea; Naucleopsis caloneura; Naucleopsis macrophylla; Naucleopsis stipularis; Naucleopsis ternstroemiiflora; Osmundaria fimbriata
COCONUT organism records39
COCONUT identifierCNP0503354.1

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.