2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one; (S)-form, 7-Chloro, N-hydroxy, O-β-D-glucopyranoside
AlkaPlorer ID: AK300868
Synonym: 7-Cl-DIBOA-Glc
IUPAC Name: 7-chloro-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(Cl)=CC=C2N1O
InChI: InChI=1S/C14H16ClNO9/c15-5-1-2-6-7(3-5)23-14(12(21)16(6)22)25-13-11(20)10(19)9(18)8(4-17)24-13/h1-3,8-11,13-14,17-20,22H,4H2
InChIKey: XEGGMKDQOCMCAD-UHFFFAOYSA-N
Reference
Megastigmane, aliphatic alcohol and benzoxazinoid glycosides from Acanthus ebracteatus
PubChem CID: 22297259
LOTUS: LTS0244363
COCONUT: CNP0177756.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthus ebracteatus | Acanthus | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 377.7330000000001
TPSA？: 149.15
MolLogP？: -1.4028000000000005
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|