Lithosenine
AlkaPlorer ID: AK304536
Synonym: None
IUPAC Name: [7-(3-hydroxy-3-methylbutanoyl)oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Structure
SMILES: CC(O)C(O)(C(=O)OCC1=CCN2CCC(OC(=O)CC(C)(C)O)C12)C(C)(C)O
InChI: InChI=1S/C20H33NO8/c1-12(22)20(27,19(4,5)26)17(24)28-11-13-6-8-21-9-7-14(16(13)21)29-15(23)10-18(2,3)25/h6,12,14,16,22,25-27H,7-11H2,1-5H3
InChIKey: MOXWDXAGEVGLLJ-UHFFFAOYSA-N
Reference
Pyrrolizidine alkaloids from Lithospermum officinale
PubChem CID: 163001098
LOTUS: LTS0113057
COCONUT: CNP0274823.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lithospermum officinale | Lithospermum | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 415.4830000000002
TPSA？: 136.76000000000002
MolLogP？: -0.5004999999999982
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|