1H-Indole-2,5-diol
AlkaPlorer ID: AK052867
Synonym: 1,3-Dihydro-5-hydroxy-2H-indol-2-one, 5-Hydroxyoxindole, 2,5-Dihydroxy-1H-indole
IUPAC Name: 5-hydroxy-1,3-dihydroindol-2-one
Structure
SMILES: O=C1CC2=C(C=CC(O)=C2)N1
InChI: InChI=1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1-3,10H,4H2,(H,9,11)
InChIKey: ZGTUSQAQXWSMDW-UHFFFAOYSA-N
Reference
A comprehensive metabolite profiling of Isatis tinctoria leaf extracts
PubChem CID: 76955
CAS: 3416-18-0
LOTUS: LTS0132404
NPASS: NPC146370
COCONUT: CNP0080133
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Protaetia brevitarsis | Protaetia | Scarabaeidae | Coleoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
| Persicaria tinctoria | Persicaria | Polygonaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 149.149
TPSA？: 49.33
MolLogP？: 0.8867999999999998
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | Activity | nan | None | 10.1016/j.bmc.2013.10.021 |
| Homo sapiens | HL-60 | Activity | nan | None | 10.1039/C2MD20287E |
| Rattus norvegicus | Liver microsome | IC50 | 300000.0 | nM | 10.1016/j.bmc.2013.10.021 |
| None | No relevant target | log KOW | 0.7 | None | 10.1016/j.bmc.2013.10.021 |
| None | No relevant target | Solubility | 225.0 | ug.mL-1 | 10.1039/C2MD20287E |
| None | Radical scavenging activity | Activity | 9.2 | 10'3/M/s | 10.1016/j.bmc.2013.10.021 |
| None | Radical scavenging activity | Activity | 11.0 | 10'3/M/s | 10.1039/C2MD20287E |
| None | Unchecked | Inhibition | 35.0 | % | 10.1016/j.ejmech.2016.08.011 |