(1R,4Z,7S,17R)-4-ethylidene-7-methyl-6-methylidene-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-en-7-yl acetate
AlkaPlorer ID: AK318903
Synonym: None
IUPAC Name: [(1R,4E,7R,17R)-4-ethylidene-7-methyl-6-methylidene-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate
Structure
SMILES: C=C1C/C(=C\C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)OC(C)=O)[C@H]23
InChI: InChI=1S/C20H25NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,16-17H,2,7-11H2,1,3-4H3/b14-5+/t16-,17-,20-/m1/s1
InChIKey: CTCKXBIRQMSUIU-HPNKAZLSSA-N
Reference
Pyrrolizidine alkaloids from <i>Senecio leucanthemifolius</i> and <i>Senecio rodriguezii</i>
PubChem CID: 6441161
CAS: 90341-45-0
LOTUS: LTS0029251
NPASS: NPC189490
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gynura segetum | Gynura | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 375.4210000000001
TPSA？: 82.13999999999999
MolLogP？: 1.6836999999999995
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|