Scorpioidine; Diastereoisomer, N-oxide
AlkaPlorer ID: AK313139
Synonym: Anadoline N-oxide, Anadoline
IUPAC Name: (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-3-methyl-2-[1-(2-methylbut-2-enoyloxy)ethyl]butanoate
Structure
SMILES: CC=C(C)C(=O)OC(C)C(O)(C(=O)OCC1=CC[N+]2([O-])CCC(O)C12)C(C)C
InChI: InChI=1S/C20H31NO7/c1-6-13(4)18(23)28-14(5)20(25,12(2)3)19(24)27-11-15-7-9-21(26)10-8-16(22)17(15)21/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3
InChIKey: IBJZSSCBLWOCEV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Symphytum orientale | Symphytum | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 397.4680000000001
TPSA？: 116.12
MolLogP？: 1.2023999999999997
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|