Echiumine; 2''R*,3''R*-Epoxide
AlkaPlorer ID: AK297272
Synonym: 2'',3''-Epoxyechiumine
IUPAC Name: [7-[[2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxymethyl]-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 2,3-dimethyloxirane-2-carboxylate
Structure
SMILES: CC1OC1(C)C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)C12
InChI: InChI=1S/C20H31NO7/c1-11(2)20(25,12(3)22)18(24)26-10-14-6-8-21-9-7-15(16(14)21)27-17(23)19(5)13(4)28-19/h6,11-13,15-16,22,25H,7-10H2,1-5H3
InChIKey: BWOZGTYKNKJGQD-UHFFFAOYSA-N
Reference
Pyrrolizidine alkaloids from Cryptantha species
PubChem CID: 163034000
LOTUS: LTS0146922
COCONUT: CNP0313228.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cryptantha leiocarpa | Cryptantha | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Cryptantha clevelandii | Cryptantha | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 397.4680000000001
TPSA？: 108.83
MolLogP？: 0.4010000000000007
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|