CHEBI:136938 - (4-methoxyindol-3-ylmethyl)isothiocyanate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (4-methoxyindol-3-ylmethyl)isothiocyanate ChEBI ID CHEBI:136938 Definition A member of the class of indoles that is 1H-indole carrying isothiocyanatomethyl and methoxy substituents at positions 3 and 4 respectively. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C11H10N2OS Net Charge 0 Average Mass 218.276 Monoisotopic Mass 218.05138 InChI InChI=1S/C11H10N2OS/c1-14-10-4-2-3-9-11(10)8(6-13-9)5-12-7-15/h2-4,6,13H,5H2,1H3 InChIKey IMQUXUBOZWPMFX-UHFFFAOYSA-N SMILES COC1=CC=CC2=C1C(=CN2)CN=C=S Metabolite of Species Details Arabidopsis thaliana (NCBI:txid3702) See: MetaboLights Study Arabidopsis thaliana (NCBI:txid3702) See: PubMed Roles Classification Biological Role(s): Arabidopsis thaliana metabolite Any plant metabolite that is produced by Arabidopsis thaliana. View more via ChEBI Ontology ChEBI Ontology Outgoing (4-methoxyindol-3-ylmethyl)isothiocyanate (CHEBI:136938) has role Arabidopsis thaliana metabolite (CHEBI:140602) (4-methoxyindol-3-ylmethyl)isothiocyanate (CHEBI:136938) is a aromatic ether (CHEBI:35618) (4-methoxyindol-3-ylmethyl)isothiocyanate (CHEBI:136938) is a indoles (CHEBI:24828) (4-methoxyindol-3-ylmethyl)isothiocyanate (CHEBI:136938) is a isothiocyanate (CHEBI:52221) IUPAC Name 3-(isothiocyanatomethyl)-4-methoxy-1H-indole Synonyms Sources 3-(isothiocyanatomethyl)-4-methoxyindole ChEBI 4-methoxy-3-indolylmethylisothiocyanate ChEBI 4-methoxyindol-3-ylmethyl isothiocyanate ChEBI Manual Xrefs Databases 10709969 ChemSpider CPDQT-433 MetaCyc View more database links Registry Number Type Source 31836797 Reaxys Registry Number Reaxys Last Modified 18 April 2018