Xanthiazone; 11-Aldehyde
AlkaPlorer ID: AK092890
Synonym: Xanthialdehyde
IUPAC Name: 8,8-dimethyl-3,5-dioxo-4H-1,4-benzothiazine-7-carbaldehyde
Structure
SMILES: CC1(C)C(C=O)=CC(=O)C2=C1SCC(=O)N2
InChI: InChI=1S/C11H11NO3S/c1-11(2)6(4-13)3-7(14)9-10(11)16-5-8(15)12-9/h3-4H,5H2,1-2H3,(H,12,15)
InChIKey: UFDKRVGOFNARBJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xanthium strumarium | Xanthium | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 237.28
TPSA？: 63.24
MolLogP？: 0.7951999999999999
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|