2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one; (S)-form, N-Hydroxy, 2-O-β-D-glucopyranoside
AlkaPlorer ID: AK300869
Synonym: DIBOA-Glc, GDIMBOA
IUPAC Name: 4-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one
Structure
SMILES: O=C1C(OC2OC(CO)C(O)C(O)C2O)OC2=CC=CC=C2N1O
InChI: InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2
InChIKey: OUSLYTBGQGKTME-UHFFFAOYSA-N
Reference
Megastigmane, aliphatic alcohol and benzoxazinoid glycosides from Acanthus ebracteatus
PubChem CID: 58114415
CAS: 155835-54-4
LOTUS: LTS0056199
COCONUT: CNP0204328.5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthus mollis | Acanthus | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 343.28800000000007
TPSA？: 149.15
MolLogP？: -2.0561999999999987
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|