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Amides

Pellitorine

墙草碱

PHY-NP-16117 · Natural product research catalog

Catalog numberPHY-NP-16117
CAS number18836-52-7
Molecular formulaC14H25NO
Molecular weight223.36 g/mol
Chemical classAmides
Main reported sourcePiper longum
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Pellitorine

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Product information

Pellitorine is listed in the Amides 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(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
SMILESCCCCC/C=C/C=C/C(=O)NCC(C)C
InChIKeyMAGQQZHFHJDIRE-BNFZFUHLSA-N
Subclass / scaffoldN-acyl amines
PubChem CID5318516

Computed properties

Exact mass (Da)223.1936Predicted LogP3.4513
Predicted TPSA (Ų)29.1H-bond donors1
H-bond acceptors1Rotatable bonds8

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

View additional properties & classification
Ring count0
Aromatic rings0
Fraction Csp³0.643
Synthetic accessibility score2.39
QED score0.381
Lipinski rule violations0
NPClassifier pathwayFatty acids
NPClassifier superclassFatty amides
NPClassifier classN-acyl amines
Parent SMILESCCCCC/C=C/C=C/C(=O)NCC(C)C
Parent formulaC14H25NO
Parent molecular weight223.36
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourcePiper longum
Reported source familiesPiperaceae; Asteraceae; Rutaceae

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

View occurrence records & references
LOTUS / Wikidata speciesPiper longum[21]; Zanthoxylum gilletii[19]; Achillea asiatica[18]; Achillea dracunculus[18]; Achillea formosa[18]; Achillea glaberrima[18]; Agarum asiaticum[18]; Anacyclus pyrethrum[18]; Asarum heterotropoides[18]; Cissampelos glaberrima[18]; Leucocyclus formosus[18]; Pilocarpus trachylophus[18]; Piper formosum[18]; Piper glaberrimum[18]; Zanthoxylum asiaticum[18]
All reported source familiesPiperaceae[18]; Asteraceae[16]; Rutaceae[9]; Annonaceae[2]; Agaraceae[1]; Aristolochiaceae[1]
LOTUS species records49
LOTUS reference records77
COCONUT occurrence recordsAbies webbiana; Acanthosyris paulo-alvinii; Achillea asiatica; Achillea dracunculus; Achillea falcata; Achillea formosa; Achillea glaberrima; Achillea macrophylla; Achillea magnifica; Achillea millefolium; Achillea sp.; Achillea spinulifolia; Aconitum episcopale; Agaricus xanthodermus; Agarum asiaticum; Aglaia perviridis; Alstonia vitiensis; Anacyclus pyrethrum; Anacyclus sp.; Anoplophora chinensis; Ardisia arborescens; Ardisia japonica; Aromia moschata; Artemisia Dracunculus; Artemisia indica; Asarum heterotropoides; Asarum sp.; Aspilia platyphylla; Bellardia viscosa; Betula alnoides
COCONUT organism records147
COCONUT identifierCNP0147800.1
Source reference DOI(s)10.1016/S0167-4501(06)80006-3;10.1021/NP030475E.S001

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.