2,5-dihydroxy-3,6-bis(2-methylpropyl)pyrazine-1,4-diium-1,4-bis(olate)
AlkaPlorer ID: AK565086
Synonym: None
IUPAC Name: 1,5-dihydroxy-3,6-bis(2-methylpropyl)-4-oxidopyrazin-4-ium-2-one
Structure
SMILES: CC(C)CC1=C(O)[N+]([O-])=C(CC(C)C)C(O)=[N+]1[O-]
InChI: InChI=1S/C12H20N2O4/c1-7(2)5-9-11(15)14(18)10(6-8(3)4)12(16)13(9)17/h7-8,15-16H,5-6H2,1-4H3
InChIKey: WXWWNANFOZVVLD-UHFFFAOYSA-N
Reference
Peltogynoids and homoisoflavonoids from Caesalpinia pulcherrima
CAS: 957-86-8
LOTUS: LTS0111833
SuperNatural Ⅲ: SN0422979
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Caesalpinia pulcherrima | Caesalpinia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 256.302
TPSA？: 94.34
MolLogP？: 0.7615999999999998
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|