2-Mercapto-1H-indole-3-acetic acid; SH-form, N-Methoxy, nitrile, S-β-D-glucopyranoside
AlkaPlorer ID: AK305568
Synonym: None
IUPAC Name: None
Structure
SMILES: CON1C(SC2OC(CO)C(O)C(O)C2O)=C(CC#N)C2=CC=CC=C21
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
InChIKey: NJSBGDKHGZFYAO-UHFFFAOYSA-N
Reference
CAS: 1638739-76-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Isatis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 380.4220000000002
TPSA？: 128.10000000000002
MolLogP？: -0.3422200000000002
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|