2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one; (R)-form, 2-O-β-D-Glucopyranoside
AlkaPlorer ID: AK296076
Synonym: DHBOA-Glc, GDIMBOA
IUPAC Name: 7-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one
Structure
SMILES: O=C1NC2=CC=C(O)C=C2OC1OC1OC(CO)C(O)C(O)C1O
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)
InChIKey: VUFDXOACUHDTLI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lamium galeobdolon | Lamium | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Coix | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Acanthus ilicifolius | Acanthus | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 343.28799999999995
TPSA？: 157.94
MolLogP？: -2.1343000000000005
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|