3-Isothiocyanato-4-methoxy-1H-indole
AlkaPlorer ID: AK010208
Synonym: 4-Methoxyindole 3-isothiocyanate, Rapalexin A
IUPAC Name: 3-isothiocyanato-4-methoxy-1H-indole
Structure
SMILES: COC1=CC=CC2=C1C(N=C=S)=CN2
InChI: InChI=1S/C10H8N2OS/c1-13-9-4-2-3-7-10(9)8(5-11-7)12-6-14/h2-5,11H,1H3
InChIKey: DJDFPSQNQFBWJR-UHFFFAOYSA-N
Reference
PubChem CID: 16102148
CAS: 929083-72-7
LOTUS: LTS0151334
NPASS: NPC121772
COCONUT: CNP0110877
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 204.254
TPSA？: 37.38
MolLogP？: 2.910800000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plenodomus lingam | Plenodomus lingam | Inhibition | 21.0 | % | 10.1016/j.bmc.2012.05.020 |
| Plenodomus lingam | Plenodomus lingam | Inhibition | 53.0 | % | 10.1016/j.bmc.2012.05.020 |
| Plenodomus lingam | Plenodomus lingam | Inhibition | 100.0 | % | 10.1016/j.bmc.2012.05.020 |