(2R)-2-hydroxy-8,8-dimethyl-7-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,4-dihydro-1,4-benzothiazine-3,5-dione
AlkaPlorer ID: AK083364
Synonym: None
IUPAC Name: (2R)-2-hydroxy-8,8-dimethyl-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4H-1,4-benzothiazine-3,5-dione
Structure
SMILES: CC1(C)C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(=O)C2=C1S[C@@H](O)C(O)=N2
InChI: InChI=1S/C17H23NO9S/c1-17(2)6(3-7(20)9-13(17)28-15(25)14(24)18-9)5-26-16-12(23)11(22)10(21)8(4-19)27-16/h3,8,10-12,15-16,19,21-23,25H,4-5H2,1-2H3,(H,18,24)/t8-,10-,11+,12-,15-,16-/m1/s1
InChIKey: DHXNDDNJEXEDPM-HWFUTELASA-N
Reference
New thiazinediones and other components from Xanthium strumarium
PubChem CID: 163068292
LOTUS: LTS0103628
SuperNatural Ⅲ: SN0066204-01
NPASS: NPC12084
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xanthium strumarium | Xanthium | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 417.43600000000015
TPSA？: 169.26999999999998
MolLogP？: -1.4284999999999997
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|