DHBOA-Glc
AlkaPlorer ID: AK026695
Synonym: None
IUPAC Name: (2R)-7-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one
Structure
SMILES: OC[C@H]1O[C@@H](O[C@H]2OC3=CC(O)=CC=C3N=C2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C14H17NO9/c16-4-8-9(18)10(19)11(20)13(23-8)24-14-12(21)15-6-2-1-5(17)3-7(6)22-14/h1-3,8-11,13-14,16-20H,4H2,(H,15,21)/t8-,9-,10+,11-,13+,14-/m1/s1
InChIKey: VUFDXOACUHDTLI-TWTZXXGESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Coix | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 343.288
TPSA？: 161.43
MolLogP？: -1.4848000000000006
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mast cell | Inhibition | 2.0 | % | 10.1021/np50055a009 |
| Mus musculus | Mast cell | Inhibition | nan | % | 10.1021/np50055a009 |