Lunarine; 3α-Alcohol
AlkaPlorer ID: AK243963
Synonym: Alkaloid LBY, Lunarinol II, 3-Deoxo-3-hydroxylunarine
IUPAC Name: 25-hydroxy-22-oxa-5,10,14-triazatetracyclo[16.9.2.01,23.021,28]nonacosa-2,16,18(29),19,21(28)-pentaene-4,15-dione
Structure
SMILES: O=C1C=CC23CCC(O)CC2OC2=CC=C(C=CC(=O)NCCCNCCCCN1)C=C23
InChI: InChI=1S/C25H33N3O4/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/h4-7,9,11,16,19,22,26,29H,1-3,8,10,12-15,17H2,(H,27,31)(H,28,30)
InChIKey: HAKVMCMKZIHCOX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Lunaria | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 439.5560000000003
TPSA？: 99.69
MolLogP？: 1.8055
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|