Alkaloid LBZ; 22-Ketone
AlkaPlorer ID: AK283864
Synonym: Alkaloid LBX
IUPAC Name: 22-oxa-5,10,14-triazapentacyclo[16.9.2.110,14.01,23.021,28]triaconta-2,16,18(29),19,21(28)-pentaene-4,15,25-trione
Structure
SMILES: O=C1CCC23C=CC(O)=NCCCCN4CCCN(C4)C(=O)C=CC4=CC=C(OC2C1)C3=C4
InChI: InChI=1S/C26H31N3O4/c30-20-8-10-26-11-9-24(31)27-12-1-2-13-28-14-3-15-29(18-28)25(32)7-5-19-4-6-22(21(26)16-19)33-23(26)17-20/h4-7,9,11,16,23H,1-3,8,10,12-15,17-18H2,(H,27,31)
InChIKey: QRISBUREZACXLK-UHFFFAOYSA-N
Reference
Etudes récentes des alcaloïdes du Lunaria biennis Moench, Crucifères—I
PubChem CID: 312944
LOTUS: LTS0076524
COCONUT: CNP0168061.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Lunaria | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 449.55100000000016
TPSA？: 82.44000000000001
MolLogP？: 3.249900000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|