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Alkaloids

16-Hydroxy Capsaicin

16-羟基辣椒素

PHY-NP-09021 · Natural product research catalog

Catalog numberPHY-NP-09021
CAS number112848-19-8
Molecular formulaC18H27NO4
Molecular weight321.417 g/mol
Chemical classAlkaloids
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 16-Hydroxy Capsaicin

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Product information

16-Hydroxy Capsaicin 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(E)-8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
SMILESCC(C)(/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC)O
InChIKeyOGBQQOBPAFILCJ-YRNVUSSQSA-N
Subclass / scaffoldPseudoalkaloids:Capsaicins and Capsaicinoids Phenylalanine-derived alkaloids
PubChem CID71748835

Computed properties

Exact mass (Da)321.194Predicted LogP2.9045
Predicted TPSA (Ų)78.79H-bond donors3
H-bond acceptors4Rotatable bonds9

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

View additional properties & classification
Ring count1
Aromatic rings1
Fraction Csp³0.5
Synthetic accessibility score2.33
QED score0.483
Lipinski rule violations0
NPClassifier pathwayAlkaloids
NPClassifier superclassPseudoalkaloids
NPClassifier classCapsaicins and Capsaicinoids;Phenylalanine-derived alkaloids
Parent SMILESCOc1cc(CNC(=O)CCCC/C=C/C(C)(C)O)ccc1O
Parent formulaC18H27NO4
Parent molecular weight321.417
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

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

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT organism records0

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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