Echiumine; 2'',3''-Dihydro, 2''R*-hydroxy, 3''S*-chloro
AlkaPlorer ID: AK297266
Synonym: erythro-3''-Chloro-2''-hydroxyechiumine
IUPAC Name: [7-(3-chloro-2-hydroxy-2-methylbutanoyl)oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Structure
SMILES: CC(Cl)C(C)(O)C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)C12
InChI: InChI=1S/C20H32ClNO7/c1-11(2)20(27,13(4)23)18(25)28-10-14-6-8-22-9-7-15(16(14)22)29-17(24)19(5,26)12(3)21/h6,11-13,15-16,23,26-27H,7-10H2,1-5H3
InChIKey: VMIXARLCRHUXRV-UHFFFAOYSA-N
Reference
Pyrrolizidine alkaloids from Cryptantha species
PubChem CID: 162986067
LOTUS: LTS0157006
COCONUT: CNP0258578.1
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: 433.9290000000002
TPSA？: 116.53
MolLogP？: 0.6019000000000001
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|