3-(3-methylbut-2-en-1-yl)-1H-indole
AlkaPlorer ID: AK116982
Synonym: None
IUPAC Name: 3-(3-methylbut-2-enyl)-1H-indole
Structure
SMILES: CC(C)=CCC1=CNC2=CC=CC=C12
InChI: InChI=1S/C13H15N/c1-10(2)7-8-11-9-14-13-6-4-3-5-12(11)13/h3-7,9,14H,8H2,1-2H3
InChIKey: ASADUZQNSFEIFO-UHFFFAOYSA-N
Reference
3-Dimethyallylindole: an Antibacterial and Antifungal Metabolite from Monodora tenuifolia
PubChem CID: 10867041
CAS: 17771-42-5
LOTUS: LTS0099132
COCONUT: CNP0151197
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Murraya paniculata | Murraya | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 185.27
TPSA？: 15.79
MolLogP？: 3.6766000000000014
Number of H-Donors: 1
Number of H-Acceptors: 0
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus niger | Activity | nan | None | 10.1021/np50045a031 |
| Bacillus subtilis | Bacillus subtilis | MIC | 12.5 | ug.mL-1 | 10.1021/np50045a031 |
| Candida albicans | Candida albicans | MIC | 25.0 | ug.mL-1 | 10.1021/np50045a031 |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 12.5 | ug.mL-1 | 10.1021/np50045a031 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np50045a031 |
| Helminthosporium | Helminthosporium | MIC | 0.78 | ug.mL-1 | 10.1021/np50045a031 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 3.12 | ug.mL-1 | 10.1021/np50045a031 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | nan | None | 10.1021/np50045a031 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 12.5 | ug.mL-1 | 10.1021/np50045a031 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 12.5 | ug.mL-1 | 10.1021/np50045a031 |
| Trametes sanguinea | Trametes sanguinea | MIC | 12.5 | ug.mL-1 | 10.1021/np50045a031 |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | MIC | 1.56 | ug.mL-1 | 10.1021/np50045a031 |