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Alkaloids

Pteropodine

钩藤碱C

PHY-NP-09750 · Natural product research catalog

Catalog numberPHY-NP-09750
CAS number5629-60-7
Molecular formulaC21H24N2O4
Molecular weight368.433 g/mol
Chemical classAlkaloids
Main reported sourceUncaria tomentosa
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Pteropodine

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Product information

Pteropodine 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 namemethyl (1S,4aS,5aS,6R,10aS)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
SMILESC[C@H]1[C@@H]2CN3CC[C@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
InChIKeyJMIAZDVHNCCPDM-QLMFUGSGSA-N
Subclass / scaffoldTryptophan alkaloids:Corynanthe type Simple indole alkaloids
PubChem CID10429112

Computed properties

Exact mass (Da)368.1736Predicted LogP2.0625
Predicted TPSA (Ų)67.87H-bond donors1
H-bond acceptors5Rotatable bonds1

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

View additional properties & classification
Ring count5
Aromatic rings1
Fraction Csp³0.524
Synthetic accessibility score4.71
QED score0.769
Lipinski rule violations0
NPClassifier pathwayAlkaloids
NPClassifier superclassTryptophan alkaloids
NPClassifier classCorynanthe type;Simple indole alkaloids
Parent SMILESCOC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12
Parent formulaC21H24N2O4
Parent molecular weight368.433
Specified stereocenters5
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceUncaria tomentosa
Reported source familiesRubiaceae

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

View occurrence records & references
LOTUS / Wikidata speciesUncaria tomentosa[17]; Uncaria longiflora[4]; Hamelia patens[2]; Uncaria homomalla[2]; Uncaria lanosa[2]; Cephalanthus glabratus[1]; Cephalanthus occidentalis[1]; Cephalanthus tetrandra[1]; Cephalanthus tetrandrus[1]; Mitragyna hirsuta[1]; Mitragyna inermis[1]; Mitragyna parvifolia[1]; Uncaria bernaysii[1]; Uncaria canescens[1]; Uncaria guianensis[1]
All reported source familiesRubiaceae[18]
LOTUS species records18
LOTUS reference records35
COCONUT occurrence recordsAgaricus arvensis; Almeidea guyanensis; Andropogon polyneuros; Archangium disciforme; Capsicum annuum; Chaetomium chiversii; Corchorus capsularis; Fusarium caucasicum; Mentha lavandulacea; Mentzelia albescens; Nostoc linckia; Origanum majorana; Rumex chalepensis; Spongia irregularis; Uncaria macrophylla; Uncaria rhynchophylla; Uncaria sinensis; Uncaria tomentosa; Verbesina sphaerocephala
COCONUT organism records19
COCONUT identifierCNP0508848.3
Source reference DOI(s)10.1016/S1876-0813(08)60219-5

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.