Heliospathuline; 3'-Epimer
AlkaPlorer ID: AK300100
Synonym: Tessellatine
IUPAC Name: [7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Structure
SMILES: CC(C)C(O)(C(=O)OC1CCN2CC=C(CO)C12)C(C)O
InChI: InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)18)14(19)21-12-5-7-16-6-4-11(8-17)13(12)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3
InChIKey: OMMHYUSJYAJBDU-UHFFFAOYSA-N
Reference
Pyrrolizidine alkaloids from Amsinckia
PubChem CID: 4483890
CAS: 6224-43-7
LOTUS: LTS0085042
COCONUT: CNP0217500.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Amsinckia | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 299.367
TPSA？: 90.23
MolLogP？: -0.3272999999999998
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|