(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: AK318616
Synonym: None
IUPAC Name: 17-(1-hydroxypropyl)-11-oxo-1,5,10-triazabicyclo[11.4.0]heptadec-15-ene-5-carbaldehyde
Structure
SMILES: CCC(O)C1C=CCC2CC(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)
InChIKey: TYRJPNHABXLXHV-UHFFFAOYSA-N
Reference
Über die Inhalts‐stoffe des Sumpfschachtelhalms (Equisetum palustre)
PubChem CID: 5320389
LOTUS: LTS0260081
NPASS: NPC145654
COCONUT: CNP0330540.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pinus massoniana | Pinus | Pinaceae | Pinales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
| Equisetum palustre | Equisetum | Equisetaceae | Equisetales | Polypodiopsida | 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 |
|---|