2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one; (S)-form, 7-Chloro, O-β-D-glucopyranoside
AlkaPlorer ID: AK300867
Synonym: None
IUPAC Name: 7-chloro-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one
Structure
SMILES: O=C1NC2=CC=C(Cl)C=C2OC1OC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C14H16ClNO8/c15-5-1-2-6-7(3-5)22-14(12(21)16-6)24-13-11(20)10(19)9(18)8(4-17)23-13/h1-3,8-11,13-14,17-20H,4H2,(H,16,21)
InChIKey: VMKDFEOKUWRINT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthus ilicifolius | Acanthus | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 361.734
TPSA？: 137.71
MolLogP？: -1.1865000000000003
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|