Molecule

1H-indole-3-acetonitrile-4-methoxy-2-S-β-D-glucopyranoside

AlkaPlorer ID: AK012199

Synonym: None

IUPAC Name: None

Structure

SMILES: OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1SC(N2OC)=C(C3=C(C=CC=C23)[H])CC#N

InChI: InChI=1S/C17H20N2O6S/c1-24-19-11-5-3-2-4-9(11)10(6-7-18)16(19)26-17-15(23)14(22)13(21)12(8-20)25-17/h2-5,12-15,17,20-23H,6,8H2,1H3/t12-,13-,14+,15-,17+/m1/s1

InChIKey: NJSBGDKHGZFYAO-GAGVYUBLSA-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？: 128.10000000000002

MolLogP？: -0.34221999999999997

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi