3,3'-dihydroxy-4,4'-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-[2,2'-bipyridine]-1,1'-diium-1,1'-bis(olate)
AlkaPlorer ID: AK359560
Synonym: None
IUPAC Name: 2-[3-hydroxy-2-[3-hydroxy-1-oxido-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyridin-1-ium-2-yl]-1-oxidopyridin-1-ium-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Structure
SMILES: [O-][N+]1=CC=C(OC2OC(CO)C(O)C(O)C2O)C(O)=C1C1=C(O)C(OC2OC(CO)C(O)C(O)C2O)=CC=[N+]1[O-]
InChI: InChI=1S/C22H28N2O16/c25-5-9-15(29)17(31)19(33)21(39-9)37-7-1-3-23(35)11(13(7)27)12-14(28)8(2-4-24(12)36)38-22-20(34)18(32)16(30)10(6-26)40-22/h1-4,9-10,15-22,25-34H,5-6H2
InChIKey: CUHMKQWODSWBAG-UHFFFAOYSA-N
Reference
Occurrence of the Fungal Toxin Orellanine as a Diglucoside and Investigation of Its Biosynthesis
PubChem CID: 139587467
LOTUS: LTS0111321
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cortinarius orellanus | Cortinarius | Cortinariaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 576.4640000000003
TPSA？: 293.1
MolLogP？: -5.61099999999999
Number of H-Donors: 10
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|