2-Mercapto-1H-indole-3-acetic acid; SH-form, Nitrile, S-β-D-glucopyranoside
AlkaPlorer ID: AK305569
Synonym: None
IUPAC Name: None
Structure
SMILES: N#CCC1=C(SC2OC(CO)C(O)C(O)C2O)NC2=CC=CC=C12
InChI: InChI=1S/C16H18N2O5S/c17-6-5-9-8-3-1-2-4-10(8)18-15(9)24-16-14(22)13(21)12(20)11(7-19)23-16/h1-4,11-14,16,18-22H,5,7H2
InChIKey: SCFKIBJHMKQYQL-UHFFFAOYSA-N
Reference
CAS: 1638739-74-8
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Isatis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 350.3960000000001
TPSA？: 129.73000000000002
MolLogP？: 0.1259799999999993
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|