4-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
AlkaPlorer ID: AK001194
Synonym: None
IUPAC Name: (2R)-4-hydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-benzoxazin-3-one
Structure
SMILES: O=C1[C@@H](C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC2=CC=CC=C2N1O
InChI: InChI=1S/C14H17NO8/c16-5-8-9(17)10(18)11(19)12(23-8)13-14(20)15(21)6-3-1-2-4-7(6)22-13/h1-4,8-13,16-19,21H,5H2/t8-,9-,10+,11-,12?,13-/m1/s1
InChIKey: MDURBJSVWZOREE-DMEHNAEFSA-N
Reference
Chemical constituents from the leaves of Ruellia tuberosa
PubChem CID: 162817636
LOTUS: LTS0215084
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ruellia tuberosa | Ruellia | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 327.28900000000004
TPSA？: 139.92000000000002
MolLogP？: -1.9877999999999985
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|