Numismine
AlkaPlorer ID: AK075228
Synonym: None
IUPAC Name: 20-hydroxyspiro[5,9,14-triazabicyclo[17.3.1]tricosa-1(23),2,16,19,21-pentaene-18,4'-cyclohexane]-1',4,15-trione
Structure
SMILES: O=C1CCC2(C=CC(O)=NCCCCNCCCN=C(O)C=CC3=CC2=C(O)C=C3)CC1
InChI: InChI=1S/C25H33N3O4/c29-20-8-11-25(12-9-20)13-10-24(32)27-16-2-1-14-26-15-3-17-28-23(31)7-5-19-4-6-22(30)21(25)18-19/h4-7,10,13,18,26,30H,1-3,8-9,11-12,14-17H2,(H,27,32)(H,28,31)
InChIKey: RXFSZEHSQXSBSX-UHFFFAOYSA-N
Reference
Etudes récentes des alcaloïdes du Lunaria biennis Moench, Crucifères—I
PubChem CID: 162941358
LOTUS: LTS0085495
COCONUT: CNP0211727
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Lunaria | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 439.5560000000001
TPSA？: 114.51
MolLogP？: 4.029000000000003
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|