(1R,4Z,6R,7S)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6,14-dimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
AlkaPlorer ID: AK377757
Synonym: None
IUPAC Name: 4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6,14-dimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
Structure
SMILES: CC=C1CC(C)C(O)(CO)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O
InChI: InChI=1S/C19H27NO7/c1-4-13-9-12(2)19(25,11-21)18(24)26-10-14-5-7-20(3)8-6-15(16(14)22)27-17(13)23/h4-5,12,15,21,25H,6-11H2,1-3H3
InChIKey: FKDPVQYTQVJUGD-UHFFFAOYSA-N
Reference
Pyrrolizidine Alkaloids from Ligularia sibirica Cass. and Tephroseris integrifolia L.
PubChem CID: 85433052
LOTUS: LTS0139458
COCONUT: CNP0242115.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria laburnifolia | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 381.4250000000002
TPSA？: 113.37
MolLogP？: -0.0180999999999997
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|