1H-Indole-3-acetic acid; N-Methoxy, nitrile
AlkaPlorer ID: AK011222
Synonym: 1-Methoxy-1H-indole-3-acetonitrile, Caulilexin C
IUPAC Name: 2-(1-methoxyindol-3-yl)acetonitrile
Structure
SMILES: CON1C=C(CC#N)C2=CC=CC=C21
InChI: InChI=1S/C11H10N2O/c1-14-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3
InChIKey: LIJIPBYXIXTNLE-UHFFFAOYSA-N
Reference
PubChem CID: 11954881
CAS: 30536-48-2
LOTUS: LTS0227388
SuperNatural Ⅲ: SN0206283
COCONUT: CNP0144728
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas cichorii | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| Brassica oleracea | Brassica | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 186.21400000000003
TPSA？: 37.95
MolLogP？: 1.76578
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | None | None | 10.1021/np3002833 |
| Homo sapiens | Bel-7402 | Activity | None | None | 10.1021/np3002833 |
| Homo sapiens | BGC-823 | Activity | None | None | 10.1021/np3002833 |
| Homo sapiens | HCT-8 | Activity | None | None | 10.1021/np3002833 |
| Homo sapiens | KETR3 | Activity | None | None | 10.1021/np3002833 |
| Homo sapiens | MCF7 | Activity | None | None | 10.1021/np3002833 |
| Human alphaherpesvirus 1 | Human alphaherpesvirus 1 | Activity | None | None | 10.1021/np3002833 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | Activity | None | None | 10.1021/np3002833 |