2-(hydroxymethyl)-6-{10H-indolo[3,2-b]quinolin-9-yloxy}oxane-3,4,5-triol
AlkaPlorer ID: AK526170
Synonym: None
IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(10H-indolo[3,2-b]quinolin-9-yloxy)oxane-3,4,5-triol
Structure
SMILES: OC[C@H]1O[C@@H](OC2=CC=CC3=C2NC2=CC4=CC=CC=C4N=C23)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C21H20N2O6/c24-9-15-18(25)19(26)20(27)21(29-15)28-14-7-3-5-11-16-13(23-17(11)14)8-10-4-1-2-6-12(10)22-16/h1-8,15,18-21,23-27H,9H2/t15-,18-,19+,20-,21-/m1/s1
InChIKey: SRDJZKPJNJDIHB-CMWLGVBASA-N
Reference
Jusbetonin, the First Indolo[3,2-<i>b</i>]quinoline Alkaloid Glycoside, from<i>Justicia betonica</i>
PubChem CID: 21576272
LOTUS: LTS0166176
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Justicia betonica | Justicia | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 396.39900000000006
TPSA？: 128.06
MolLogP？: 1.0479999999999994
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|