9-Senecioylretronecine
AlkaPlorer ID: AK023431
Synonym: 'O9-Senecioylretronecine', '9-O-Senecioylretronecine'
IUPAC Name: [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3-methylbut-2-enoate
Structure
SMILES: CC(C)=CC(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
InChI: InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-8-10-3-5-14-6-4-11(15)13(10)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1
InChIKey: ILQKJOOWZFSMTN-DGCLKSJQSA-N
Reference
Further pyrrolizidine alkaloids and furoeremophilanes from Senecio species
PubChem CID: 15765645
LOTUS: LTS0258462
SuperNatural Ⅲ: SN0148897-01
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echium humile | Echium | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 237.299
TPSA？: 49.77
MolLogP？: 0.871
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|