None
AlkaPlorer ID: AK464997
Synonym: None
IUPAC Name: [(4Z)-4-ethenyl-17-hydroxy-6,7,14-trimethyl-3,8-dioxo-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadeca-4,11-dien-7-yl] acetate
Structure
SMILES: C=C/C1=C/C(C)C(C)(OC(C)=O)C(=O)OCC2=CC[N+]3(C)CCC(OC1=O)C23O
InChI: InChI=1S/C21H28NO7/c1-6-15-11-13(2)20(4,29-14(3)23)19(25)27-12-16-7-9-22(5)10-8-17(21(16,22)26)28-18(15)24/h6-7,11,13,17,26H,1,8-10,12H2,2-5H3/q+1/b15-11-
InChIKey: NEHWGXHBNGZJNY-PTNGSMBKSA-N
Reference
Studies on constituents of crude drugs. XV. New pyrrolizidine alkaloids from Ligularia dentata.
PubChem CID: 5363807
LOTUS: LTS0109706
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ligularia hodgsonii | Ligularia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 406.4550000000002
TPSA？: 99.13
MolLogP？: 1.0041999999999998
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|