6-(3-Methyl-2-butenyl)-1H-indole-3-ethanol; Carboxylic acid, nitrile
AlkaPlorer ID: AK036919
Synonym: 6-(3-Methyl-2-butenyl)-1H-indole-3-acetonitrile, 3-Cyanomethyl-6-prenylindole
IUPAC Name: 2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]acetonitrile
Structure
SMILES: CC(C)=CCC1=CC=C2C(CC#N)=CNC2=C1
InChI: InChI=1S/C15H16N2/c1-11(2)3-4-12-5-6-14-13(7-8-16)10-17-15(14)9-12/h3,5-6,9-10,17H,4,7H2,1-2H3
InChIKey: WXAZQTKZTNNGIV-UHFFFAOYSA-N
Reference
A new prenylated indole derivative from endophytic actinobacteria <i>Streptomyces</i> sp. neau-D50
PubChem CID: 11009616
LOTUS: LTS0276430
NPASS: NPC208398
COCONUT: CNP0151662
{NPAtlas: NPA003488
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Streptomyces mutabilis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 224.307
TPSA？: 39.58
MolLogP？: 3.742680000000002
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | K562 | Activity | None | None | 10.1021/np0204444 |
| Homo sapiens | LNCaP | Activity | None | None | 10.1021/np0204444 |
| Homo sapiens | LoVo | Activity | None | None | 10.1021/np0204444 |
| Homo sapiens | PANC-1 | Activity | None | None | 10.1021/np0204444 |
| None | NON-PROTEIN TARGET | Activity | None | None | 10.1021/np0204444 |