7-chloro-4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one
AlkaPlorer ID: AK148265
Synonym: None
IUPAC Name: (2R)-7-chloro-4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one
Structure
SMILES: O=C1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)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/t8-,9-,10+,11-,13+,14-/m1/s1
InChIKey: XEGGMKDQOCMCAD-TWTZXXGESA-N
Reference
Megastigmane, aliphatic alcohol and benzoxazinoid glycosides from Acanthus ebracteatus
PubChem CID: 102376768
LOTUS: LTS0076587
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 |
|---|