Echihumiline; 3'-Ac, N-oxide
AlkaPlorer ID: AK297220
Synonym: 3'-O-Acetylechihumiline N-oxide
IUPAC Name: [7-(3-methylbut-2-enoyloxy)-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-(1-acetyloxyethyl)-2,3-dihydroxy-3-methylbutanoate
Structure
SMILES: CC(=O)OC(C)C(O)(C(=O)OCC1=CC[N+]2([O-])CCC(OC(=O)C=C(C)C)C12)C(C)(C)O
InChI: InChI=1S/C22H33NO9/c1-13(2)11-18(25)32-17-8-10-23(29)9-7-16(19(17)23)12-30-20(26)22(28,21(5,6)27)14(3)31-15(4)24/h7,11,14,17,19,27-28H,8-10,12H2,1-6H3
InChIKey: PGQYVTXXZSIJDM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Onosma leptantha | Onosma | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 455.50400000000025
TPSA？: 142.42
MolLogP？: 0.8881000000000006
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|