2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
AlkaPlorer ID: AK000867
Synonym: None
IUPAC Name: (2R)-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-1,4-benzoxazin-3-one
Structure
SMILES: OC[C@H]1OC([C@H]2OC3=CC=CC=C3N=C2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C14H17NO7/c16-5-8-9(17)10(18)11(19)12(22-8)13-14(20)15-6-3-1-2-4-7(6)21-13/h1-4,8-13,16-19H,5H2,(H,15,20)/t8-,9-,10+,11-,12?,13-/m1/s1
InChIKey: SFAHCAMKUIRNCU-DMEHNAEFSA-N
Reference
Chemical constituents from the leaves of Ruellia tuberosa
PubChem CID: 162842377
LOTUS: LTS0142897
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ruellia tuberosa | Ruellia | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 311.29
TPSA？: 131.97
MolLogP？: -1.1220000000000003
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|