Neoascorbigen
AlkaPlorer ID: AK075074
Synonym: ''
IUPAC Name: (3S,3aR,6S,6aS)-3,6,6a-trihydroxy-6-[(1-methoxyindol-3-yl)methyl]-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
Structure
SMILES: CON1C=C(C[C@@]2(O)C(=O)O[C@@H]3[C@@H](O)CO[C@@]32O)C2=CC=CC=C21
InChI: InChI=1S/C16H17NO7/c1-22-17-7-9(10-4-2-3-5-11(10)17)6-15(20)14(19)24-13-12(18)8-23-16(13,15)21/h2-5,7,12-13,18,20-21H,6,8H2,1H3/t12-,13+,15+,16-/m0/s1
InChIKey: RZRVFWGHJJZBJQ-XNISGKROSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eutrema halophilum | Eutrema | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 335.312
TPSA？: 110.38
MolLogP？: -1.021599999999999
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|