Indole
fo-4021d1d99815fd9f
Identity
- Type
- Neutral molecule
- CAS
- 120-72-9
- EC
- 204-420-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
7- 1-Azaindene
- 1-Benzazole
- 1H-indole
- 2,3-Benzopyrrole
- Benzo[b]pyrrole
- Indol
- Ketole
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SIKJAQJRHWYJAI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H |
| IUPAC name chemrof:IUPAC_name | Indole |
| Molecular formula chemrof:molecular_formula | C8H7N |
| Molecular mass chemrof:molecular_mass | 117.151 |
| Monoisotopic mass chemrof:monoisotopic_mass | 117.057849, 117.05785 |
| SMILES string chemrof:smiles_string | c1ccc2[nH]ccc2c1 |
Known URLs
27Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| beilstein | beilstein:107693 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=120-72-9 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=64809-15-0 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=82451-55-6 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16881 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.019 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0020737 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB04532 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB04532 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1964 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15844 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/indole | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:3477 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8724FJW4M5 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000738 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.920C | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00463 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00463 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00001418 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37398 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C68534 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:IND | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL15844 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/798 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=034424 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q319541 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Indole | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 9fe4756c-3f7a-47cb-ae0c-302b2886c222 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| c454715a-d765-4faa-a133-7755ac7bb7b3 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| bb131ad8-41a9-44b5-a663-53c32099fd48 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| f2b7e9a5-c52e-4a8f-871e-0f15f8414a1a | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| eb1978ee-86df-44a5-abc2-79f96150f3d2 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| a5fc84ae-53b5-4ced-9a02-89c720b9899a | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| ea90e70c-ec49-474b-8c5d-c3b43d79e6a8 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| ae274bad-187d-4daa-9dc2-f87de79fa0a6 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 70d183ae-6b3b-415c-9fbc-0628b493704e | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 5f8e5056-d34d-4f5a-9ba9-a47b00184e1d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c4c8d73b-3380-4cd1-b342-363ce2a1f26e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| f5a5c1d1-9fe0-4af8-9f73-d50c840717bb | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 841c9ba1-c352-4d51-ae37-aa60a2e4bed9 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works