(2R)-4,7-dimethoxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1,4-benzoxazin-3-one
AlkaPlorer ID: AK090203
Synonym: None
IUPAC Name: (2R)-4,7-dimethoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one
Structure
SMILES: COC1=CC=C2C(=C1)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2OC
InChI: InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3/t10-,11-,12+,13-,15+,16-/m1/s1
InChIKey: UOASSFRPBORTCT-FFNJBFJXSA-N
Reference
(2R)-2-β-d-Glucopyranosyloxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one from Triticum aestivum
PubChem CID: 11079589
LOTUS: LTS0111336
SuperNatural Ⅲ: SN0375521-01
NPASS: NPC220560
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Coix | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 387.3410000000001
TPSA？: 147.38000000000002
MolLogP？: -1.8753999999999995
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mast cell | Inhibition | 4.6 | % | 10.1021/np50055a009 |
| Mus musculus | Mast cell | Inhibition | nan | % | 10.1021/np50055a009 |