EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:72782 - methyl (indol-3-yl)acetate
| Formula | C11H11NO2 |
| Net Charge | 0 |
| Average Mass | 189.214 |
| Monoisotopic Mass | 189.07898 |
| SMILES | COC(=O)Cc1cnc2ccccc12 |
| InChI | InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3 |
| InChIKey | KTHADMDGDNYQRX-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl (indol-3-yl)acetate (CHEBI:72782) has functional parent indole-3-acetic acid (CHEBI:16411) |
| methyl (indol-3-yl)acetate (CHEBI:72782) has role antineoplastic agent (CHEBI:35610) |
| methyl (indol-3-yl)acetate (CHEBI:72782) has role metabolite (CHEBI:25212) |
| methyl (indol-3-yl)acetate (CHEBI:72782) is a indoles (CHEBI:24828) |
| methyl (indol-3-yl)acetate (CHEBI:72782) is a methyl ester (CHEBI:25248) |
| IUPAC Name |
|---|
| methyl 1H-indol-3-ylacetate |
| Synonyms | Source |
|---|---|
| Methyl indol-3-ylacetate | ChemIDplus |
| Indole-3-acetic acid, methyl ester | NIST Chemistry WebBook |
| methyl β-indolylacetate | NIST Chemistry WebBook |
| methyl β-indoleacetate | NIST Chemistry WebBook |
| methyl 3-indolylacetate | NIST Chemistry WebBook |
| β-indolylacetic acid methyl ester | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| methyl (indol-3-yl)acetate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-10546 | MetaCyc |
| HMDB0029738 | HMDB |
| Citations |
|---|