Blepharin
AlkaPlorer ID: AK010050
Synonym: '(+)-Blepharin'
IUPAC Name: (2R)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one
Structure
SMILES: OC[C@H]1O[C@@H](O[C@H]2OC3=CC=CC=C3N=C2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C14H17NO8/c16-5-8-9(17)10(18)11(19)13(22-8)23-14-12(20)15-6-3-1-2-4-7(6)21-14/h1-4,8-11,13-14,16-19H,5H2,(H,15,20)/t8-,9-,10+,11-,13+,14-/m1/s1
InChIKey: PYQSUTLVBSTCSK-TWTZXXGESA-N
Reference
Megastigmane, aliphatic alcohol and benzoxazinoid glycosides from Acanthus ebracteatus
PubChem CID: 38356372
LOTUS: LTS0158979
SuperNatural Ⅲ: SN0298684-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthus ebracteatus | Acanthus | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 327.28900000000004
TPSA？: 141.20000000000002
MolLogP？: -1.1904000000000006
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|