Ligularine
AlkaPlorer ID: AK304406
Synonym: None
IUPAC Name: 5,7-diacetyloxy-4-ethylidene-6,7,14-trimethyl-3,8-dioxo-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-en-17-olate
Structure
SMILES: CC=C1C(=O)OC2CC[N+]3(C)CC=C(COC(=O)C(C)(OC(C)=O)C(C)C1OC(C)=O)C23[O-]
InChI: InChI=1S/C23H31NO9/c1-7-17-19(31-14(3)25)13(2)22(5,33-15(4)26)21(28)30-12-16-8-10-24(6)11-9-18(23(16,24)29)32-20(17)27/h7-8,13,18-19H,9-12H2,1-6H3
InChIKey: VKGRQHHTTJZYME-UHFFFAOYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ligularia hodgsonii | Ligularia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ligularia dentata | Ligularia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Ligularia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 465.49900000000025
TPSA？: 128.26000000000002
MolLogP？: 0.1378000000000026
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|