Ligularinine
AlkaPlorer ID: AK002062
Synonym: None
IUPAC Name: (1R,4E,6R,7S,11S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione
Structure
SMILES: C/C=C/1\C[C@H]([C@](C(=O)OC[C@H]2CCN3C2[C@@H](CC3)OC1=O)(C)O)C
InChI: InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4+/t11-,13-,14-,15?,18+/m1/s1
InChIKey: BTHCJHQOYFUIMG-WCICKULTSA-N
Reference
Studies on constituents of crude drugs. XV. New pyrrolizidine alkaloids from Ligularia dentata.
PubChem CID: 78358539
CAS: 90364-90-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ligularia dentata | Ligularia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 337.41600000000005
TPSA？: 76.07
MolLogP？: 1.2727
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|