Harmaline
fo-c1e6eb62637d8b0b
Identity
- Type
- Neutral molecule
- CAS
- 304-21-2
- EC
- 206-152-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
14- 1-Methyl-7-methoxy-3,4-dihydro-β-carboline
- 3,4-Dihydro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
- 3,4-Dihydroharmine
- 3H-Pyrido[3,4-b]indole, 4,9-dihydro-7-methoxy-1-methyl-
- 4,9-Dihydro-7-methoxy-1-methyl-3H-pyrido[3,4-b]indole
- 7-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline
- 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
- Armalin
- Dihydroharmine
- harmalin
- Harmalol methyl ether
- Harmidine
- MeSH ID: D006246
- O-Methylharmalol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | RERZNCLIYCABFS-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Harmaline |
| Molecular formula chemrof:molecular_formula | C13H14N2O |
| Molecular mass chemrof:molecular_mass | 214.268 |
| Monoisotopic mass chemrof:monoisotopic_mass | 214.11061, 214.110613 |
| SMILES string chemrof:smiles_string | COc1ccc2c3c([nH]c2c1)C(C)=NCC3 |
Known URLs
22Where 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 |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=304-21-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28172 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.594 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8041038 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB13875 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=407285 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=789037 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL340807 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CN58I4TOET | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0030310 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.607F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C06536 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C06536 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00001735 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51608 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/PZTG1483H3BH | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL340807 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3564 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=565711 | enrich_references.pubchem_identifier_url |
| reaxys | reaxys:207310 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q104252234 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Harmaline | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| c125d031-3a50-4f6a-8c35-d122973b4c50 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 20929ec7-338b-4bef-9dbd-c374e34cfdfd | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| e01be821-68f5-4a8f-892d-767de8bbee8b | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 79dff3aa-d6c3-43fe-bdf3-084e94ef90e8 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 88272066-318a-43b0-94f0-321505edabe4 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| e1e7c0ed-1ef1-435e-bdfc-81ffc2bbf3d1 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 7e2418fb-0063-40b2-b4b5-3610afde4c89 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| b7b1edd7-c1dc-4092-9683-b80e147641de | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 27894423-3bf1-42cb-bdc7-6fb9f973c7ae | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 5cc0a5ee-9a56-42f7-ba4e-c1352999dc70 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 48f42a61-2f45-4344-a100-8e4c274869ca | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 5c0bc4fd-0657-46fe-80d3-0fb01fa3de3c | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 87e94c70-9abf-4af3-817d-38d762d638ee | 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