lunarine
AlkaPlorer ID: AK000209
Synonym: '', 'Lunarine'
IUPAC Name: (1S,2E,16E,23R)-22-oxa-5,10,14-triazatetracyclo[16.9.2.01,23.021,28]nonacosa-2,16,18(29),19,21(28)-pentaene-4,15,25-trione
Structure
SMILES: O=C1CC[C@@]23/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/C4=CC=C(O[C@@H]2C1)C3=C4
InChI: InChI=1S/C25H31N3O4/c29-19-8-10-25-11-9-24(31)27-14-2-1-12-26-13-3-15-28-23(30)7-5-18-4-6-21(20(25)16-18)32-22(25)17-19/h4-7,9,11,16,22,26H,1-3,8,10,12-15,17H2,(H,27,31)(H,28,30)/b7-5+,11-9+/t22-,25+/m1/s1
InChIKey: YIWJEBPTHXRHQF-LLMLIWGDSA-N
Reference
Lunarine, an Alkaloid from Lunaria biennis.
PubChem CID: 6477011
CAS: 24185-51-1
LOTUS: LTS0065247
SuperNatural Ⅲ: SN0451637-05
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lunaria annua | Lunaria | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 437.5400000000001
TPSA？: 96.53000000000002
MolLogP？: 2.0137
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Trypanosoma brucei | Trypanosoma brucei | IC50 | 65000.0 | nM | 10.1016/j.ejmech.2017.08.014 |
| None | Unchecked | Ki | 114000.0 | nM | 10.1016/j.ejmech.2017.08.014 |