Molecule

N-methoxyindole-3-acetonitrile-2-S-β-D-glucopyranoside

AlkaPlorer ID: AK012197

Synonym: None

IUPAC Name: None

Structure

SMILES: [H]N1C(S[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)=C(C3=C(C=CC=C13)OC)CC#N

InChI: InChI=1S/C17H20N2O6S/c1-24-10-4-2-3-9-12(10)8(5-6-18)16(19-9)26-17-15(23)14(22)13(21)11(7-20)25-17/h2-4,11,13-15,17,19-23H,5,7H2,1H3/t11-,13-,14+,15-,17+/m1/s1

InChIKey: NDKALBRNMWJSBX-AQFIFQLPSA-N

Reference

Four undescribed sulfur-containing indole alkaloids with nitric oxide inhibitory activities from Isatis tinctoria L. roots

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Caryopteris mongholica	Caryopteris	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 380.42200000000014

TPSA？: 138.96

MolLogP？: 0.13458000000000037

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi