Molecule

2-Phenyl-1,5,9-triazacyclotridecan-4-one; (S)-form, N9-Z-Cinnamoyl

AlkaPlorer ID: AK310158

Synonym: Celallocinnine

IUPAC Name: 2-phenyl-9-[(Z)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one

Structure

SMILES: O=C(/C=C\C1=CC=CC=C1)N1CCCCNC(C2=CC=CC=C2)CC(O)=NCCC1

InChI: InChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14-

InChIKey: OROFOUPCOTVAJQ-PFONDFGASA-N

Reference

Stereochemistry of a macrocyclic spermidine alkaloid from Caesalpinia digyna Rottl. X-Ray determination of the structure of caesalpinine C (celallocinnine)

PubChem CID: 5315762

CAS: 53990-48-0

LOTUS: LTS0014679

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Maytenus serrata	Maytenus	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pleurostylia africana	Pleurostylia	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Maytenus	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 405.5420000000002

TPSA？: 64.93

MolLogP？: 4.389800000000003

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi