Molecule

(13S,16aR)-13-[(1S)-1-hydroxypropyl]-2-oxo-1H,3H,4H,5H,6H,7H,9H,10H,11H,13H,16H,16aH-pyrido[2,1-d]1,5,9-triazacyclotridecane-8-carbaldehyde

AlkaPlorer ID: AK046509

Synonym: None

IUPAC Name: (13R,17S)-17-[(1S)-1-hydroxypropyl]-11-oxo-1,5,10-triazabicyclo[11.4.0]heptadec-15-ene-5-carbaldehyde

Structure

SMILES: CC[C@H](O)[C@@H]1C=CC[C@@H]2CC(O)=NCCCCN(C=O)CCCN21

InChI: InChI=1S/C18H31N3O3/c1-2-17(23)16-8-5-7-15-13-18(24)19-9-3-4-10-20(14-22)11-6-12-21(15)16/h5,8,14-17,23H,2-4,6-7,9-13H2,1H3,(H,19,24)/t15-,16+,17+/m1/s1

InChIKey: TYRJPNHABXLXHV-IKGGRYGDSA-N

Reference

Über die Inhalts‐stoffe des Sumpfschachtelhalms (Equisetum palustre)

PubChem CID: 163047901

LOTUS: LTS0036423

SuperNatural Ⅲ: SN0363651-02

NPASS: NPC287657

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Laurus nobilis	Laurus	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Chondromyces robustus	Chondromyces	Polyangiaceae	Polyangiales	None	Myxococcota	None	Bacteria
Narcissus cyclamineus	Narcissus	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Meconopsis punicea	Meconopsis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Glaucium leiocarpum	Glaucium	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Papaver bracteatum	Papaver	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Salvia multicaulis	Salvia	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tanaecium jaroba	Tanaecium	Bignoniaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euonymus alatus	Euonymus	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 337.46400000000006

TPSA？: 76.36999999999999

MolLogP？: 1.7453

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi