HMBOA beta-D-glucoside
AlkaPlorer ID: AK025709
Synonym: 'HMBOA D-glucoside'
IUPAC Name: (2R)-7-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one
Structure
SMILES: COC1=CC=C2N=C(O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC2=C1
InChI: InChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)/t9-,10-,11+,12-,14+,15-/m1/s1
InChIKey: PMBZSEOAOIYRMW-XFWGRBSCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Coix | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.31500000000005
TPSA？: 150.43
MolLogP？: -1.1818000000000002
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mast cell | Inhibition | 2.8 | % | 10.1021/np50055a009 |
| Mus musculus | Mast cell | Inhibition | nan | % | 10.1021/np50055a009 |