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Alkaloids

Akuammiline

Akuammiline

PHY-NP-09678 · Natural product research catalog

Catalog numberPHY-NP-09678
CAS number1897-26-3
Molecular formulaC23H26N2O4
Molecular weight394.471 g/mol
Chemical classAlkaloids
Main reported sourceAlstonia scholaris
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Akuammiline

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Product information

Akuammiline 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

SMILESO=C(OCC1(C(=O)OC)C2C(=CC)CN3CCC41C=5C=CC=CC5N=C4C3C2)C
InChIKeyQBHALCZZZWCCLV-UHFFFAOYSA-N
Subclass / scaffoldTryptophan alkaloids:Corynanthe type
PubChem CID16058537

Computed properties

Exact mass (Da)394.1893Predicted LogP2.7871
Predicted TPSA (Ų)68.2H-bond donors0
H-bond acceptors6Rotatable bonds3

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

View additional properties & classification
Ring count5
Aromatic rings1
Fraction Csp³0.522
Synthetic accessibility score5.44
QED score0.583
Lipinski rule violations0
NPClassifier pathwayAlkaloids
NPClassifier superclassTryptophan alkaloids
NPClassifier classCorynanthe type
Parent SMILESCC=C1CN2CCC34C(=Nc5ccccc53)C2CC1C4(COC(C)=O)C(=O)OC
Parent formulaC23H26N2O4
Parent molecular weight394.471
Specified stereocenters0
Unspecified stereocenters4

Reported natural occurrence

Main reported sourceAlstonia scholaris
Reported source familiesApocynaceae

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

View occurrence records & references
LOTUS / Wikidata speciesAlstonia scholaris[1]; Kopsia macrophylla[1]; Kopsia teoi[1]; Tabernaemontana crassa[1]
All reported source familiesApocynaceae[4]
LOTUS species records4
LOTUS reference records4
COCONUT occurrence recordsAlstonia lenormandii; Kopsia teoi; Rauvolfia volkensii; Rauvolfia vomitoria; Tabernaemontana africana
COCONUT organism records5
COCONUT identifierCNP0273741.3

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.