4-Hydroxy-2-mercapto-1H-indole-3-acetic acid; SH-form, Me ether, nitrile, S-β-D-glucopyranoside
AlkaPlorer ID: AK301363
Synonym: None
IUPAC Name: None
Structure
SMILES: COC1=CC=CC2=C1C(CC#N)=C(SC1OC(CO)C(O)C(O)C1O)N2
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
InChIKey: NDKALBRNMWJSBX-UHFFFAOYSA-N
Reference
CAS: 1638739-75-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Isatis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 380.422
TPSA？: 138.96
MolLogP？: 0.1345799999999997
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|