Molecule

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

AlkaPlorer ID: AK310156

Synonym: Celabenzine

IUPAC Name: 9-benzoyl-2-phenyl-1,5,9-triazacyclotridecan-4-one

Structure

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

InChI: InChI=1S/C23H29N3O2/c27-22-18-21(19-10-3-1-4-11-19)24-14-7-8-16-26(17-9-15-25-22)23(28)20-12-5-2-6-13-20/h1-6,10-13,21,24H,7-9,14-18H2,(H,25,27)

InChIKey: LSYKFBZWBDMZLQ-UHFFFAOYSA-N

Reference

Macrocyclische Spermidinalkaloide aus <i>Maytenus tnossambicensis</i> (KLOTZSCH) BLAKELOCK 12. Mitteilung über Celastraceen‐Inhaltsstoffe

PubChem CID: 4485351

CAS: 53938-08-2

LOTUS: LTS0169270

NPASS: NPC178491

COCONUT: CNP0337659.1

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cupressus sempervirens	Cupressus	Cupressaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
None	Maytenus	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Juniperus virginiana	Juniperus	Cupressaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Panax ginseng	Panax	Araliaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Saussurea costus	Saussurea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tripterygium wilfordii	Tripterygium	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 379.5040000000002

TPSA？: 64.93

MolLogP？: 3.9902000000000015

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi