Doronine
AlkaPlorer ID: AK546779
Synonym: None
IUPAC Name: [(1R,4S,6R,7R,11Z)-4-[(1R)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
Structure
SMILES: CC(=O)O[C@@]1(C)C(=O)OC/C2=C/CN(C)CC[C@@H](OC(=O)[C@](O)([C@@H](C)Cl)C[C@H]1C)C2=O
InChI: InChI=1S/C21H30ClNO8/c1-12-10-21(28,13(2)22)19(27)30-16-7-9-23(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,28H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20-,21-/m1/s1
InChIKey: VGRSISYREBBIAL-MWTIQZJTSA-N
Reference
Mutagenicity of pyrrolizidine alkaloids in the Salmonella typhimurium/mammalian microsome system
PubChem CID: 102523309
LOTUS: LTS0127593
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Jacobaea othonnae | Jacobaea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 459.9230000000002
TPSA？: 119.44000000000004
MolLogP？: 0.9923999999999996
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|