2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol; (7R,8S)-form, 9-O-(2ξ,3ξ,4ξ-Trihydroxy-2ξ,3ξ-dimethylpentanoyl), N-oxide
AlkaPlorer ID: AK315366
Synonym: Onosmerectine N-oxide
IUPAC Name: (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2,3,4-trihydroxy-2,3-dimethylpentanoate
Structure
SMILES: CC(O)C(C)(O)C(C)(O)C(=O)OCC1=CC[N+]2([O-])CCC(O)C12
InChI: InChI=1S/C15H25NO7/c1-9(17)14(2,20)15(3,21)13(19)23-8-10-4-6-16(22)7-5-11(18)12(10)16/h4,9,11-12,17-18,20-21H,5-8H2,1-3H3
InChIKey: SQELQFHEBQYPIY-UHFFFAOYSA-N
Reference
PubChem CID: 102228699
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Onosma erecta | Onosma | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 331.36500000000007
TPSA？: 130.28
MolLogP？: -1.1997999999999986
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|