Xanthiazone
AlkaPlorer ID: AK049959
Synonym: 4,8-Dihydro-7-(hydroxymethyl)-8,8-dimethyl-2H-1,4-benzothiazine-3,5-dione
IUPAC Name: 7-(hydroxymethyl)-8,8-dimethyl-4H-1,4-benzothiazine-3,5-dione
Structure
SMILES: CC1(C)C(CO)=CC(=O)C2=C1SCC(O)=N2
InChI: InChI=1S/C11H13NO3S/c1-11(2)6(4-13)3-7(14)9-10(11)16-5-8(15)12-9/h3,13H,4-5H2,1-2H3,(H,12,15)
InChIKey: DNLBWKAXMIGTSS-UHFFFAOYSA-N
Reference
PubChem CID: 15945057
LOTUS: LTS0145462
SuperNatural Ⅲ: SN0070397
NPASS: NPC55732
COCONUT: CNP0131220
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xanthium strumarium | Xanthium | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Xanthium sibiricum | Xanthium | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 239.296
TPSA？: 69.89
MolLogP？: 1.4288999999999998
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 7079.5 | nM | None |
| Homo sapiens | Geminin | Potency | 6513.1 | nM | None |