Indigo
AlkaPlorer ID: AK025649
Synonym: 'MLS001335921', 'MLS001335922', 'SMR000857361', 'Indigo'
IUPAC Name: 2-(3-hydroxy-1H-indol-2-yl)indol-3-one
Structure
SMILES: O=C1C(C2=C(O)C3=CC=CC=C3N2)=NC2=CC=CC=C12
InChI: InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17,19H
InChIKey: QQILFGKZUJYXGS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isatis tinctoria | Isatis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 262.26800000000003
TPSA？: 65.44999999999999
MolLogP？: 3.1906000000000017
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 15848.9 | nM | None |
| Homo sapiens | Aryl hydrocarbon receptor | Potency | 39810.7 | nM | None |
| Homo sapiens | ATP-dependent DNA helicase Q1 | Potency | 35481.3 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 3981.1 | nM | None |
| Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Potency | 31622.8 | nM | None |
| Homo sapiens | Interleukin-8 | Potency | 74978.0 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 47307.9 | nM | None |
| Homo sapiens | Nuclear receptor ROR-gamma | Potency | 841.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 6309.6 | nM | None |
| None | Unchecked | Potency | 37578.0 | nM | None |