(7aR)-7-({[(2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-5,7a-dihydro-3H-pyrrolizin-1-yl (2E)-2-methylbut-2-enoate
AlkaPlorer ID: AK424551
Synonym: None
IUPAC Name: [7-(2-methylbut-2-enoyloxy)-5,8-dihydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Structure
SMILES: CC=C(C)C(=O)OC1=CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)C12
InChI: InChI=1S/C20H29NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-8,12,14,17,22,25H,9-11H2,1-5H3
InChIKey: JOWKECGITZUSRI-UHFFFAOYSA-N
Reference
Anadoline, a new senecio alkaloid from symphytum orientale
PubChem CID: 162936604
LOTUS: LTS0268727
COCONUT: CNP0206764.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Symphytum orientale | Symphytum | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 379.453
TPSA？: 96.3
MolLogP？: 1.3149999999999995
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|